(3S,6S)-N,6-dimethyl-N-[(4-methylphenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-N,6-dimethyl-N-[(4-methylphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-N,6-dimethyl-N-(p-tolylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-N,6-dimethyl-N-[(4-methylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-N,6-dimethyl-N-(4-methylbenzyl)piperidin-1-ium-3-carboxamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)N(C)CC2=CC=C(C=C2)C

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)N(C)CC2=CC=C(C=C2)C

InChI

InChI=1S/C16H24N2O/c1-12-4-7-14(8-5-12)11-18(3)16(19)15-9-6-13(2)17-10-15/h4-5,7-8,13,15,17H,6,9-11H2,1-3H3/p+1/t13-,15-/m0/s1