N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-piperonylamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(CC[NH+]2CCCC2)C(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=NN(C(=C1)CN(CC[NH+]2CCCC2)C(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H26N4O3/c1-15-11-17(22(2)21-15)13-24(10-9-23-7-3-4-8-23)20(25)16-5-6-18-19(12-16)27-14-26-18/h5-6,11-12H,3-4,7-10,13-14H2,1-2H3/p+1