(3S,6S)-N-(2-ethyl-6-methyl-phenyl)-6-methyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-N-(2-ethyl-6-methyl-phenyl)-6-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-N-(2-ethyl-6-methyl-phenyl)-6-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-N-(2-ethyl-6-methylphenyl)-6-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-N-(2-ethyl-6-methylphenyl)-6-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-N-(2-ethyl-6-methyl-phenyl)-6-methyl-piperidin-1-ium-3-carboxamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCC([NH2+]C2)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H]2CC[C@@H]([NH2+]C2)C)C

InChI

InChI=1S/C16H24N2O/c1-4-13-7-5-6-11(2)15(13)18-16(19)14-9-8-12(3)17-10-14/h5-7,12,14,17H,4,8-10H2,1-3H3,(H,18,19)/p+1/t12-,14-/m0/s1