2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-propan-2-yl-4-piperidinyl)-4-[[4-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-(4-pyrazol-1-ylbenzyl)piperazin-1-ium-2-yl]ethanol Formula: C24H38N5O+ MolecularWeight: 412.59142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C24H37N5O/c1-20(2)27-13-8-22(9-14-27)28-16-15-26(19-24(28)10-17-30)18-21-4-6-23(7-5-21)29-12-3-11-25-29/h3-7,11-12,20,22,24,30H,8-10,13-19H2,1-2H3/p+1/t24-/m0/s1