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

Systemtic Name: ethyl N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate Openeye Name: N-[C-ethoxy-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 ethyl ester IUPAC Name: ethyl N-(1,3-benzodioxole-5-carbonyl)-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate Traditional Name: N-[C-ethoxy-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-piperonylamide Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-2-23-18(19-8-11-21-9-4-3-5-10-21)20-17(22)14-6-7-15-16(12-14)25-13-24-15/h6-7,12H,2-5,8-11,13H2,1H3,(H,19,20,22)/p+1