(3S)-1-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2-ethyl-6-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:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCCC(C2)C(=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-])C

InChI

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