(3S)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[[1-(2-chlorophenyl)-4-pyrazolyl]methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C19H26ClN4+ MolecularWeight: 345.88954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCCN(C2)CC3=CN(N=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@H]2CCCN(C2)CC3=CN(N=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H25ClN4/c20-18-7-1-2-8-19(18)24-14-16(12-21-24)13-22-9-5-6-17(15-22)23-10-3-4-11-23/h1-2,7-8,12,14,17H,3-6,9-11,13,15H2/p+1/t17-/m0/s1