N-(4-methyl-3-nitro-phenyl)-2-(1-methylpiperidin-1-ium-1-yl)propanamide iodide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-(1-methylpiperidin-1-ium-1-yl)propanamide iodide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-(1-methylpiperidin-1-ium-1-yl)propanamide iodide CAS Name: N-(4-methyl-3-nitrophenyl)-2-(1-methyl-1-piperidin-1-iumyl)propanamide iodide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-(1-methylpiperidin-1-ium-1-yl)propanamide iodide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-(1-methylpiperidin-1-ium-1-yl)propionamide iodide Formula: C16H24IN3O3 MolecularWeight: 433.28453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)[N+]2(CCCCC2)C)[N+](=O)[O-].[I-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)[N+]2(CCCCC2)C)[N+](=O)[O-].[I-]

InChI

InChI=1S/C16H23N3O3.HI/c1-12-7-8-14(11-15(12)18(21)22)17-16(20)13(2)19(3)9-5-4-6-10-19;/h7-8,11,13H,4-6,9-10H2,1-3H3;1H