(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-methyl-1-piperazin-4-iumyl)-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-(4-pyrazol-1-ylbenzyl)piperidin-1-ium-3-ol Formula: C20H31N5O+2 MolecularWeight: 357.49304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2O)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H29N5O/c1-22-11-13-24(14-12-22)19-7-10-23(16-20(19)26)15-17-3-5-18(6-4-17)25-9-2-8-21-25/h2-6,8-9,19-20,26H,7,10-16H2,1H3/p+2/t19-,20-/m1/s1