[(3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCN(C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C[NH+](C)[C@H]1CCN(C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C23H26N4O2/c1-25(2)20-10-11-26(15-20)13-18-14-27(19-6-4-3-5-7-19)24-23(18)17-8-9-21-22(12-17)29-16-28-21/h3-9,12,14,20H,10-11,13,15-16H2,1-2H3/p+1/t20-/m0/s1