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

Systemtic Name: 2-methylpropyl N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate Openeye Name: N-[C-isobutoxy-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1,3-benzodioxol-5-yl(oxo)methyl]-N'-[2-(1-piperidin-1-iumyl)ethyl]carbamimidic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-(1,3-benzodioxole-5-carbonyl)-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate Traditional Name: N-[C-isobutoxy-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-piperonylamide Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=NCC[NH+]1CCCCC1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)COC(=NCC[NH+]1CCCCC1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H29N3O4/c1-15(2)13-25-20(21-8-11-23-9-4-3-5-10-23)22-19(24)16-6-7-17-18(12-16)27-14-26-17/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,21,22,24)/p+1