(Q27133605)

festuclavinium(1+) (English)

7 October 2016

chemical formula

C₁₆H₂₁N₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1CC2C(CC3=CNC4=CC=CC2=C34)[NH+](C1)C

1 reference

festuclavinium(1+) (English)

7 October 2016

isomeric SMILES

C[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)[NH+](C1)C

1 reference

festuclavinium(1+) (English)

InChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/p+1/t10-,13-,15-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

festuclavinium(1+) (English)

VLMZMRDOMOGGFA-WDBKCZKBSA-O

7 October 2016

InChIKey

2 references

festuclavinium(1+) (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8beta)-6,8-Dimethylergolin-6-ium (English)

7 October 2016

2 references

festuclavinium(1+) (English)

matched by identifier from

7 October 2016

InChIKey

VLMZMRDOMOGGFA-WDBKCZKBSA-O

ChEBI ID

65045

mapping relation type

2 references

festuclavine(1+) (English)