2-ethoxyethyl N'-(1,3-benzodioxol-5-ylcarbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate

Systemtic Name: 2-ethoxyethyl N'-(1,3-benzodioxol-5-ylcarbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate Openeye Name: N-[2-ethoxyethoxy-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methylene]-1,3-benzodioxole-5-carboxamide CAS Name: N'-[1,3-benzodioxol-5-yl(oxo)methyl]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)carbamimidic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate Traditional Name: N-[2-ethoxyethoxy-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methylene]-piperonylamide Formula: C20H30N3O5+ MolecularWeight: 392.4693

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=NC(=O)C1=CC2=C(C=C1)OCO2)N(C)C3CC[NH+](CC3)C

Isomeric SMILES

CCOCCOC(=NC(=O)C1=CC2=C(C=C1)OCO2)N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C20H29N3O5/c1-4-25-11-12-26-20(23(3)16-7-9-22(2)10-8-16)21-19(24)15-5-6-17-18(13-15)28-14-27-17/h5-6,13,16H,4,7-12,14H2,1-3H3/p+1