2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone Openeye Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone Formula: C18H17N4O3+ MolecularWeight: 337.35258

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3/c1-2-10-20-15-8-3-4-9-16(15)21(18(20)19)12-17(23)13-6-5-7-14(11-13)22(24)25/h2-9,11,19H,1,10,12H2/p+1