[3-[2-(benzimidazol-1-yl)ethanoylamino]phenyl]methylazanium

Systemtic Name: [3-[2-(benzimidazol-1-yl)ethanoylamino]phenyl]methylazanium Openeye Name: [3-[[2-(benzimidazol-1-yl)acetyl]amino]phenyl]methylammonium CAS Name: [3-[[2-(1-benzimidazolyl)-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [3-[[2-(benzimidazol-1-yl)acetyl]amino]phenyl]methylazanium Traditional Name: [3-[[2-(benzimidazol-1-yl)acetyl]amino]benzyl]ammonium Formula: C16H17N4O+ MolecularWeight: 281.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CC(=O)NC3=CC=CC(=C3)C[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CC(=O)NC3=CC=CC(=C3)C[NH3+]

InChI

InChI=1S/C16H16N4O/c17-9-12-4-3-5-13(8-12)19-16(21)10-20-11-18-14-6-1-2-7-15(14)20/h1-8,11H,9-10,17H2,(H,19,21)/p+1