1,5-dimethyl-4-[[(3S)-3-naphthalen-1-ylcarbonylpiperidin-1-ium-1-yl]methyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[[(3S)-3-naphthalen-1-ylcarbonylpiperidin-1-ium-1-yl]methyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-ium-1-yl]methyl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[(3S)-3-[1-naphthalenyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-ium-1-yl]methyl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[(3S)-3-(1-naphthoyl)piperidin-1-ium-1-yl]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C28H30N3O2+ MolecularWeight: 440.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCCC(C3)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H29N3O2/c1-20-26(28(33)31(29(20)2)23-13-4-3-5-14-23)19-30-17-9-12-22(18-30)27(32)25-16-8-11-21-10-6-7-15-24(21)25/h3-8,10-11,13-16,22H,9,12,17-19H2,1-2H3/p+1/t22-/m0/s1