(3S,6S)-N-(4-ethylphenyl)-6-methyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-N-(4-ethylphenyl)-6-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-N-(4-ethylphenyl)-6-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-N-(4-ethylphenyl)-6-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-N-(4-ethylphenyl)-6-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-N-(4-ethylphenyl)-6-methyl-piperidin-1-ium-3-carboxamide Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCC([NH2+]C2)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H]2CC[C@@H]([NH2+]C2)C

InChI

InChI=1S/C15H22N2O/c1-3-12-5-8-14(9-6-12)17-15(18)13-7-4-11(2)16-10-13/h5-6,8-9,11,13,16H,3-4,7,10H2,1-2H3,(H,17,18)/p+1/t11-,13-/m0/s1