(2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-2-piperidin-1-ium-1-yl-propionamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCCCC2

InChI

InChI=1S/C18H27N3O2/c1-14-7-9-16(10-8-14)19-17(22)13-20(3)18(23)15(2)21-11-5-4-6-12-21/h7-10,15H,4-6,11-13H2,1-3H3,(H,19,22)/p+1/t15-/m0/s1