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

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-methyl-4-piperidinyl)-4-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-(2-methyl-4-pyrazol-1-yl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C23H36N5O+ MolecularWeight: 398.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N5O/c1-19-16-22(28-10-3-9-24-28)5-4-20(19)17-26-13-14-27(23(18-26)8-15-29)21-6-11-25(2)12-7-21/h3-5,9-10,16,21,23,29H,6-8,11-15,17-18H2,1-2H3/p+1/t23-/m0/s1