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

Systemtic Name: (3S)-1-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-[benzyl(methyl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[methyl-(phenylmethyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-[benzyl(methyl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[benzyl(methyl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c1-17(10-13-6-3-2-4-7-13)15(19)12-18-9-5-8-14(11-18)16(20)21/h2-4,6-7,14H,5,8-12H2,1H3,(H,20,21)/t14-/m0/s1