(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-(o-tolylmethylamino)-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-keto-2-[(2-methylbenzyl)amino]ethyl]piperidin-1-ium-2-carboxamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C[NH+]2CCCCC2C(=O)N

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[NH+]2CCCC[C@H]2C(=O)N

InChI

InChI=1S/C16H23N3O2/c1-12-6-2-3-7-13(12)10-18-15(20)11-19-9-5-4-8-14(19)16(17)21/h2-3,6-7,14H,4-5,8-11H2,1H3,(H2,17,21)(H,18,20)/p+1/t14-/m0/s1