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

Systemtic Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[1-methyl-2-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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