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

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(4-nitrophenyl)ethanone Formula: C22H26N5O3+ MolecularWeight: 408.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)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+1