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

Systemtic Name: (3S)-1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[[1-(p-tolyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[[1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[[1-(p-tolyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C20H29N4+ MolecularWeight: 325.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C=N2)CN3CCCC(C3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C=N2)CN3CCC[C@@H](C3)[NH+]4CCCC4

InChI

InChI=1S/C20H28N4/c1-17-6-8-19(9-7-17)24-15-18(13-21-24)14-22-10-4-5-20(16-22)23-11-2-3-12-23/h6-9,13,15,20H,2-5,10-12,14,16H2,1H3/p+1/t20-/m0/s1