2-[[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C16H21N4O4+ MolecularWeight: 333.36234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=NNC(=C1)COC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=NNC(=C1)COC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N4O4/c1-20(2)6-5-17-16(21)13-7-11(18-19-13)9-22-12-3-4-14-15(8-12)24-10-23-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,17,21)(H,18,19)/p+1