5-(4-methylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-methylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: 5-(4-methylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=C(C=C3)C)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=C(C=C3)C)[NH+]4CCCCC4

InChI

InChI=1S/C25H29N3O2/c1-18-6-10-20(11-7-18)23(28-14-4-3-5-15-28)17-26-25(29)22-16-24(30-27-22)21-12-8-19(2)9-13-21/h6-13,16,23H,3-5,14-15,17H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1