N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[1-methyl-2-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-3-nitro-benzamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O3/c1-16-8-11-27(12-9-16)13-10-22-25-20-15-18(6-7-21(20)26(22)2)24-23(29)17-4-3-5-19(14-17)28(30)31/h3-7,14-16H,8-13H2,1-2H3,(H,24,29)/p+1