N,N-dimethyl-1-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N,N-dimethyl-1-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N,N-dimethyl-1-[(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N,N-dimethyl-1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N,N-dimethyl-1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl]-N,N-dimethyl-piperidin-1-ium-4-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N(C)C

InChI

InChI=1S/C18H27N3O2/c1-13-6-5-7-16(12-13)19-17(22)14(2)21-10-8-15(9-11-21)18(23)20(3)4/h5-7,12,14-15H,8-11H2,1-4H3,(H,19,22)/p+1/t14-/m0/s1