2-[(2S)-1-(3-methylbut-2-enyl)-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(2-methyl-4-pyrazol-1-yl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O/c1-18(2)7-11-25-13-12-24(17-22(25)8-14-27)16-20-5-6-21(15-19(20)3)26-10-4-9-23-26/h4-7,9-10,15,22,27H,8,11-14,16-17H2,1-3H3/p+1/t22-/m0/s1