1-phenyl-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-phenyl-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-phenyl-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine CAS Name: 1-phenyl-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-phenyl-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-phenyl-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine Formula: C19H28N5+ MolecularWeight: 326.45912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NN2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NN2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H27N5/c1-2-5-18(6-3-1)23-11-13-24(14-12-23)19-7-4-10-22(16-19)15-17-8-9-20-21-17/h1-3,5-6,8-9,19H,4,7,10-16H2,(H,20,21)/p+1/t19-/m0/s1