(3S)-N-methyl-1-[(2-methylphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-methyl-1-[(2-methylphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-N-methyl-1-(o-tolylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-methyl-1-[(2-methylphenyl)methyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-N-methyl-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-N-methyl-1-(2-methylbenzyl)piperidin-1-ium-3-carboxamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-18-9-6-7-12-20(18)16-24-14-8-13-21(17-24)22(25)23(2)15-19-10-4-3-5-11-19/h3-7,9-12,21H,8,13-17H2,1-2H3/p+1/t21-/m0/s1