2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-methyl-4-piperidinyl)-4-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-(5-methyl-2-pyrazol-1-yl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C23H36N5O+ MolecularWeight: 398.56484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N5O/c1-19-4-5-23(28-10-3-9-24-28)20(16-19)17-26-13-14-27(22(18-26)8-15-29)21-6-11-25(2)12-7-21/h3-5,9-10,16,21-22,29H,6-8,11-15,17-18H2,1-2H3/p+1/t22-/m0/s1