(Q27125209)

N-caffeoylputrescinium cation (English)

6 October 2016

chemical formula

C₁₃H₁₉N₂O₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=C(C=C1C=CC(=O)NCCCC[NH3+])O)O

1 reference

N-caffeoylputrescinium cation (English)

6 October 2016

isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)NCCCC[NH3+])O)O

1 reference

N-caffeoylputrescinium cation (English)

InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/p+1/b6-4+

6 October 2016

Identifiers

InChI

1 reference

N-caffeoylputrescinium cation (English)

KTZNZCYTXQYEHT-GQCTYLIASA-O

6 October 2016

InChIKey

2 references

N-caffeoylputrescinium cation (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]amino}-1-butanaminium (English)

6 October 2016

1 reference

N-caffeoylputrescinium cation (English)

6 October 2016

ChEBI ID

58138

mapping relation type

1 reference