3-[1-[[3-[(E)-diazanylidenemethyl]phenyl]carbonylamino]-1-phenethyl-benzimidazol-1-ium-2-yl]propanoic acid

Systemtic Name: 3-[1-[[3-[(E)-diazanylidenemethyl]phenyl]carbonylamino]-1-phenethyl-benzimidazol-1-ium-2-yl]propanoic acid Openeye Name: 3-[1-[[3-[(E)-hydrazinylidenemethyl]benzoyl]amino]-1-phenethyl-benzimidazol-1-ium-2-yl]propanoic acid CAS Name: 3-[1-[[[3-[(E)-hydrazinylidenemethyl]phenyl]-oxomethyl]amino]-1-phenethyl-2-benzimidazol-1-iumyl]propanoic acid IUPAC Name: 3-[1-[[3-[(E)-hydrazinylidenemethyl]benzoyl]amino]-1-phenethylbenzimidazol-1-ium-2-yl]propanoic acid Traditional Name: 3-[1-[[3-[(E)-hydrazonomethyl]benzoyl]amino]-1-phenethyl-benzimidazol-1-ium-2-yl]propionic acid Formula: C26H26N5O3+ MolecularWeight: 456.51634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2(C3=CC=CC=C3N=C2CCC(=O)O)NC(=O)C4=CC=CC(=C4)C=NN

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2(C3=CC=CC=C3N=C2CCC(=O)O)NC(=O)C4=CC=CC(=C4)/C=N/N

InChI

InChI=1S/C26H25N5O3/c27-28-18-20-9-6-10-21(17-20)26(34)30-31(16-15-19-7-2-1-3-8-19)23-12-5-4-11-22(23)29-24(31)13-14-25(32)33/h1-12,17-18H,13-16,27H2,(H-,30,32,33,34)/p+1/b28-18+