(3S)-1-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(o-tolylmethylamino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-[(2-methylbenzyl)amino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-17-8-5-6-9-18(17)14-23-21(26)16-25-13-7-10-19(15-25)22(27)24-20-11-3-2-4-12-20/h2-6,8-9,11-12,19H,7,10,13-16H2,1H3,(H,23,26)(H,24,27)/p+1/t19-/m0/s1