N-[2-[1-[(2R)-1-(4-methylphenyl)propan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide

Systemtic Name: N-[2-[1-[(2R)-1-(4-methylphenyl)propan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-[(1R)-1-methyl-2-(p-tolyl)ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[(2R)-1-(4-methylphenyl)propan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-[(2R)-1-(4-methylphenyl)propan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-[(1R)-1-methyl-2-(p-tolyl)ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[C@@H](C)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-21-8-10-23(11-9-21)20-22(2)30-17-13-24(14-18-30)31-26(12-16-28-31)29-27(32)15-19-33-25-6-4-3-5-7-25/h3-12,16,22,24H,13-15,17-20H2,1-2H3,(H,29,32)/p+1/t22-/m1/s1