(3R)-1-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)C[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C24H31N3O2/c1-18-11-12-20(19(2)14-18)15-26(3)23(28)17-27-13-7-8-21(16-27)24(29)25-22-9-5-4-6-10-22/h4-6,9-12,14,21H,7-8,13,15-17H2,1-3H3,(H,25,29)/p+1/t21-/m1/s1