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

Systemtic Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O/c1-15-11-16(2)18(19(12-15)23-7-4-6-20-23)14-22-9-8-21(3)17(13-22)5-10-24/h4,6-7,11-12,17,24H,5,8-10,13-14H2,1-3H3/p+1/t17-/m0/s1