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

Systemtic Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-(1-methylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-(1-methylpiperidin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-methyl-3-nitrophenyl)-2-(1-methyl-1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-methyl-3-nitrophenyl)-2-(1-methylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-(1-methylpiperidin-1-ium-1-yl)propionamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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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-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[N+]2(CCCCC2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O3/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/p+1/t13-/m0/s1