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

Systemtic Name: (3S)-1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[[1-(3-chlorophenyl)-4-pyrazolyl]methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[[1-(3-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=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN4/c20-17-5-3-6-18(11-17)24-14-16(12-21-24)13-22-8-4-7-19(15-22)23-9-1-2-10-23/h3,5-6,11-12,14,19H,1-2,4,7-10,13,15H2/p+1/t19-/m0/s1