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

Systemtic Name: (2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-2-pyrrolidin-1-ium-1-yl-propionamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)[NH+]2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCCC2

InChI

InChI=1S/C17H25N3O2/c1-13-6-8-15(9-7-13)18-16(21)12-19(3)17(22)14(2)20-10-4-5-11-20/h6-9,14H,4-5,10-12H2,1-3H3,(H,18,21)/p+1/t14-/m0/s1