(Q27158284)

CHEBI:85007 (English)

9 October 2016

chemical formula

C₂₅H₃₂N₃O₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC=C1C=CC(=O)NCCCC[NH2+]CCCNC(=O)C=CC2=CC=C(C=C2)O)O

1 reference

CHEBI:85007 (English)

9 October 2016

isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NCCCC[NH2+]CCCNC(=O)/C=C/C2=CC=C(C=C2)O)O

1 reference

CHEBI:85007 (English)

InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)/p+1/b14-8+,15-9+

9 October 2016

Identifiers

InChI

1 reference

CHEBI:85007 (English)

QYBCBMVQSCJMSA-VOMDNODZSA-O

9 October 2016

InChIKey

2 references

CHEBI:85007 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-{[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]amino}-N-(3-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]amino}propyl)-1-butanaminium (English)

9 October 2016

2 references

CHEBI:85007 (English)

matched by identifier from

9 October 2016

InChIKey

QYBCBMVQSCJMSA-VOMDNODZSA-O

ChEBI ID

85007

mapping relation type

2 references

N(1),N(8)-bis(coumaroyl)spermidine(1+) (English)