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

Systemtic Name: 2-[(2S)-1-methyl-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-(5-methyl-2-pyrazol-1-yl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O/c1-15-4-5-18(22-8-3-7-19-22)16(12-15)13-21-10-9-20(2)17(14-21)6-11-23/h3-5,7-8,12,17,23H,6,9-11,13-14H2,1-2H3/p+1/t17-/m0/s1