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

Systemtic Name: methyl N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate Openeye Name: N-[C-methoxy-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 methyl ester IUPAC Name: methyl N-(1,3-benzodioxole-5-carbonyl)-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate Traditional Name: N-[C-methoxy-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-piperonylamide Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4/c1-22-17(18-7-10-20-8-3-2-4-9-20)19-16(21)13-5-6-14-15(11-13)24-12-23-14/h5-6,11H,2-4,7-10,12H2,1H3,(H,18,19,21)/p+1