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

Systemtic Name: (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[methyl(p-tolylmethyl)amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-[methyl-(4-methylbenzyl)amino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-18-10-12-19(13-11-18)15-25(2)22(27)17-26-14-6-7-20(16-26)23(28)24-21-8-4-3-5-9-21/h3-5,8-13,20H,6-7,14-17H2,1-2H3,(H,24,28)/p+1/t20-/m1/s1