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

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methyl]-3-pyrazolin-3-one Formula: C27H36N5O+ MolecularWeight: 446.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC[C@@H](C3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H35N5O/c1-22-26(27(33)32(28(22)2)24-12-7-4-8-13-24)21-29-15-9-14-25(20-29)31-18-16-30(17-19-31)23-10-5-3-6-11-23/h3-8,10-13,25H,9,14-21H2,1-2H3/p+1/t25-/m0/s1