4-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amino]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]amino]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amino]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNC3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C26H32N4O/c1-19-25(26(31)30(28(19)2)23-12-4-3-5-13-23)17-27-22-11-8-14-29(18-22)24-15-20-9-6-7-10-21(20)16-24/h3-7,9-10,12-13,22,24,27H,8,11,14-18H2,1-2H3/p+1/t22-/m0/s1