2,5-bis[[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]amino]benzoic acid

Systemtic Name: 2,5-bis[[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]amino]benzoic acid Openeye Name: 2,5-bis[[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)vinyl]amino]benzoic acid CAS Name: 2,5-bis[[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]amino]benzoic acid IUPAC Name: 2,5-bis[[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]amino]benzoic acid Traditional Name: 2,5-bis[[(E)-2-(1-ethyl-1-pyrrolin-1-ium-2-yl)vinyl]amino]benzoic acid Formula: C23H32N4O2+2 MolecularWeight: 396.52578

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(CCC1)C=CNC2=CC(=C(C=C2)NC=CC3=[N+](CCC3)CC)C(=O)O

Isomeric SMILES

CC[N+]1=C(CCC1)/C=C/NC2=CC(=C(C=C2)N/C=C/C3=[N+](CCC3)CC)C(=O)O

InChI

InChI=1S/C23H30N4O2/c1-3-26-15-5-7-19(26)11-13-24-18-9-10-22(21(17-18)23(28)29)25-14-12-20-8-6-16-27(20)4-2/h9-14,17H,3-8,15-16H2,1-2H3,(H,28,29)/p+2