[(3S)-1-[[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]carbonyl]pyrrolidin-3-yl]-diethyl-azanium

Systemtic Name: [(3S)-1-[[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]carbonyl]pyrrolidin-3-yl]-diethyl-azanium Openeye Name: [(3S)-1-[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-diethyl-ammonium CAS Name: [(3S)-1-[[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-oxomethyl]-3-pyrrolidinyl]-diethylammonium IUPAC Name: [(3S)-1-[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-diethylazanium Traditional Name: [(3S)-1-[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-diethyl-ammonium Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCN(C1)C(=O)C2=NNC(=C2)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+](CC)[C@H]1CCN(C1)C(=O)C2=NNC(=C2)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N4O4/c1-3-23(4-2)15-7-8-24(11-15)20(25)17-9-14(21-22-17)12-26-16-5-6-18-19(10-16)28-13-27-18/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3,(H,21,22)/p+1/t15-/m0/s1