2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[2-amino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazol-1-iumyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Formula: C22H27N5O3+2 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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