(3S)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C21H31N4+ MolecularWeight: 339.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(C=NN2)CN3CCCC(C3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(C=NN2)CN3CCC[C@@H](C3)[NH+]4CCCC4

InChI

InChI=1S/C21H30N4/c1-16-7-8-17(2)20(12-16)21-18(13-22-23-21)14-24-9-5-6-19(15-24)25-10-3-4-11-25/h7-8,12-13,19H,3-6,9-11,14-15H2,1-2H3,(H,22,23)/p+1/t19-/m0/s1