N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-1,2-oxazole-5-carboxamide

Systemtic Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-1,2-oxazole-5-carboxamide Openeye Name: N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-isoxazole-5-carboxamide CAS Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-3-phenyl-5-isoxazolecarboxamide IUPAC Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-1,2-oxazole-5-carboxamide Traditional Name: N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-isoxazole-5-carboxamide Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)C3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@@H](C2)CN(C)C(=O)C3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2/c1-20-9-6-7-11-22(20)14-16-29-15-8-10-21(19-29)18-28(2)26(30)25-17-24(27-31-25)23-12-4-3-5-13-23/h3-7,9,11-13,17,21H,8,10,14-16,18-19H2,1-2H3/p+1/t21-/m1/s1