5-methyl-2-phenyl-4-[(S)-phenyl-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]methyl]-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-phenyl-4-[(S)-phenyl-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]methyl]-1H-pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-4-[(S)-phenyl-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]methyl]-1H-pyrazol-3-one CAS Name: 5-methyl-2-phenyl-4-[(S)-phenyl-[(1R)-2-(1-piperidin-1-iumyl)-1-cyclohex-2-enyl]methyl]-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-phenyl-4-[(S)-phenyl-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]methyl]-1H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-[(S)-phenyl-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]methyl]-3-pyrazolin-3-one Formula: C28H34N3O+ MolecularWeight: 428.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3CCCC=C3[NH+]4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)[C@@H]([C@H]3CCCC=C3[NH+]4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N3O/c1-21-26(28(32)31(29-21)23-15-7-3-8-16-23)27(22-13-5-2-6-14-22)24-17-9-10-18-25(24)30-19-11-4-12-20-30/h2-3,5-8,13-16,18,24,27,29H,4,9-12,17,19-20H2,1H3/p+1/t24-,27+/m0/s1