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

Systemtic Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[1-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]-3-nitro-benzamide Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-15-8-10-26(11-9-15)14-21-24-19-13-17(6-7-20(19)25(21)2)23-22(28)16-4-3-5-18(12-16)27(29)30/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,23,28)/p+1