(3S)-N-ethyl-N-(2-methylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-ethyl-N-(2-methylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-ethyl-N-(o-tolyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-ethyl-N-(2-methylphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-ethyl-N-(2-methylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-ethyl-N-(o-tolyl)piperidin-1-ium-3-carboxamide Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C)C(=O)C2CCC[NH2+]C2

Isomeric SMILES

CCN(C1=CC=CC=C1C)C(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C15H22N2O/c1-3-17(14-9-5-4-7-12(14)2)15(18)13-8-6-10-16-11-13/h4-5,7,9,13,16H,3,6,8,10-11H2,1-2H3/p+1/t13-/m0/s1