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

Systemtic Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine CAS Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine Formula: C19H27ClN5+ MolecularWeight: 360.90418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN5/c20-16-3-1-4-18(13-16)24-9-11-25(12-10-24)19-5-2-8-23(15-19)14-17-6-7-21-22-17/h1,3-4,6-7,13,19H,2,5,8-12,14-15H2,(H,21,22)/p+1/t19-/m0/s1