1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(3S)-3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(3S)-3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[(5S)-5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C29H33N4O3+ MolecularWeight: 485.59732

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC[NH+](CC1)CC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CNC(=O)C1CC[NH+](CC1)CC(=O)N2[C@@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H32N4O3/c1-30-29(35)22-13-15-32(16-14-22)19-28(34)33-27(21-9-11-25(36-2)12-10-21)18-26(31-33)24-8-7-20-5-3-4-6-23(20)17-24/h3-12,17,22,27H,13-16,18-19H2,1-2H3,(H,30,35)/p+1/t27-/m0/s1