2-methylpropyl N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate

Systemtic Name: 2-methylpropyl N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate Openeye Name: N-[C-isobutoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)carbonimidoyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1,3-benzodioxol-5-yl(oxo)methyl]-N'-[2-(1-pyrrolidin-1-iumyl)ethyl]carbamimidic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-(1,3-benzodioxole-5-carbonyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate Traditional Name: N-[C-isobutoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)carbonimidoyl]-piperonylamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=NCC[NH+]1CCCC1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)COC(=NCC[NH+]1CCCC1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H27N3O4/c1-14(2)12-24-19(20-7-10-22-8-3-4-9-22)21-18(23)15-5-6-16-17(11-15)26-13-25-16/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3,(H,20,21,23)/p+1