N-[4-[6-[(4-aminophenyl)carbonylamino]-1H-benzimidazol-3-ium-2-yl]phenyl]-4-azanyl-benzamide

Systemtic Name: N-[4-[6-[(4-aminophenyl)carbonylamino]-1H-benzimidazol-3-ium-2-yl]phenyl]-4-azanyl-benzamide Openeye Name: 4-amino-N-[4-[6-[(4-aminobenzoyl)amino]-1H-benzimidazol-3-ium-2-yl]phenyl]benzamide CAS Name: 4-amino-N-[4-[6-[[(4-aminophenyl)-oxomethyl]amino]-1H-benzimidazol-3-ium-2-yl]phenyl]benzamide IUPAC Name: 4-amino-N-[4-[6-[(4-aminobenzoyl)amino]-1H-benzimidazol-3-ium-2-yl]phenyl]benzamide Traditional Name: 4-amino-N-[4-[6-[(4-aminobenzoyl)amino]-1H-benzimidazol-3-ium-2-yl]phenyl]benzamide Formula: C27H23N6O2+ MolecularWeight: 463.51052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=[NH+]C3=C(N2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)N)NC(=O)C5=CC=C(C=C5)N

Isomeric SMILES

C1=CC(=CC=C1C2=[NH+]C3=C(N2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)N)NC(=O)C5=CC=C(C=C5)N

InChI

InChI=1S/C27H22N6O2/c28-19-7-1-17(2-8-19)26(34)30-21-11-5-16(6-12-21)25-32-23-14-13-22(15-24(23)33-25)31-27(35)18-3-9-20(29)10-4-18/h1-15H,28-29H2,(H,30,34)(H,31,35)(H,32,33)/p+1