2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C24H38N5O+ MolecularWeight: 412.59142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CC[NH+](C(C3)CCO)C4CCN(CC4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CC[NH+]([C@H](C3)CCO)C4CCN(CC4)C)C

InChI

InChI=1S/C24H37N5O/c1-19-15-20(2)23(24(16-19)29-9-4-8-25-29)18-27-12-13-28(22(17-27)7-14-30)21-5-10-26(3)11-6-21/h4,8-9,15-16,21-22,30H,5-7,10-14,17-18H2,1-3H3/p+1/t22-/m0/s1