(Q27123687)

Quinolinium, 1-methyl-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]- (English)

6 October 2016

chemical formula

C₁₉H₁₇N₂S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)C

1 reference

Quinolinium, 1-methyl-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]- (English)

6 October 2016

isomeric SMILES

C[N+]1=CC=C(C2=C1C=CC=C2)/C=C\3/N(C4=CC=CC=C4S3)C

1 reference

1-Methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium (English)

InChI=1S/C19H17N2S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19/h3-13H,1-2H3/q+1

6 October 2016

Identifiers

InChI

1 reference

Quinolinium, 1-methyl-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]- (English)

XRXJDLHDDHBJOJ-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

Quinolinium, 1-methyl-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]- (English)

6 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

1-Methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium (English)

6 October 2016

1 reference

Quinolinium, 1-methyl-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]- (English)

6 October 2016

ChEBI ID

52924

mapping relation type

1 reference