N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[1-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-benzimidazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C23H28N5O4+ MolecularWeight: 438.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4/c1-16-9-11-27(12-10-16)14-22-25-20-13-17(3-8-21(20)26(22)2)24-23(29)15-32-19-6-4-18(5-7-19)28(30)31/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,24,29)/p+1