N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-piperonylamide Formula: C19H24ClN4O4+ MolecularWeight: 407.87126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CN1C=C(C(=N1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C19H23ClN4O4/c1-22-11-15(20)16(21-22)12-24(5-4-23-6-8-26-9-7-23)19(25)14-2-3-17-18(10-14)28-13-27-17/h2-3,10-11H,4-9,12-13H2,1H3/p+1