N-[(2S)-3-methyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-butan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-butan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-2-methyl-1-(p-tolylcarbamoyl)propyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(p-tolylcarbamoyl)propyl]piperidin-1-ium-4-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2CC[NH2+]CC2

InChI

InChI=1S/C18H27N3O2/c1-12(2)16(21-17(22)14-8-10-19-11-9-14)18(23)20-15-6-4-13(3)5-7-15/h4-7,12,14,16,19H,8-11H2,1-3H3,(H,20,23)(H,21,22)/p+1/t16-/m0/s1