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

Systemtic Name: 2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C24H39N5O+2 MolecularWeight: 413.59936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2CC[NH+](CC2CCO)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H37N5O/c1-19(2)28-11-8-22(9-12-28)29-14-13-27(18-23(29)10-15-30)17-21-16-25-26-24(21)20-6-4-3-5-7-20/h3-7,16,19,22-23,30H,8-15,17-18H2,1-2H3,(H,25,26)/p+2/t23-/m0/s1