2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c23-22-25(14-13-24-11-4-1-5-12-24)19-9-2-3-10-20(19)26(22)16-21(28)17-7-6-8-18(15-17)27(29)30/h2-3,6-10,15,23H,1,4-5,11-14,16H2/p+1