Molecule ID: 91825720

IUPAC Name: diaminomethylidene-[4-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]azanium

Description: The molecule is a p-coumaroylagmatine(1+) in which the double bond of the coumaroyl component has Z-geochemistry. It is a conjugate base of a (Z)-p-coumaroylagmatine.

SMILES: NC(=[NH2+])NCCCCN=C(O)/C=C\c1ccc(O)cc1

SELFIES: [N][C][=Branch1][C][=NH2+1][N][C][C][C][C][N][=C][Branch1][C][O][/C][=C][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/p+1/b8-5-

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 0.4