(3S)-1-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(N-ethyl-3-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(N-ethyl-3-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C17H24N2O3/c1-3-19(15-8-4-6-13(2)10-15)16(20)12-18-9-5-7-14(11-18)17(21)22/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,21,22)/t14-/m0/s1