2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3/c1-2-3-12-21-16-6-4-5-7-17(16)22(19(21)20)13-18(24)14-8-10-15(11-9-14)23(25)26/h4-11,20H,2-3,12-13H2,1H3/p+1