[5-[(Z)-N-(1,3-benzodioxol-5-ylcarbonylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methyl-diethyl-azanium

Systemtic Name: [5-[(Z)-N-(1,3-benzodioxol-5-ylcarbonylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methyl-diethyl-azanium Openeye Name: [5-[(Z)-N-(1,3-benzodioxole-5-carbonylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methyl-diethyl-ammonium CAS Name: [5-[(1Z)-1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]ethyl]-2-methoxyphenyl]methyl-diethylammonium IUPAC Name: [5-[(Z)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]methyl-diethylazanium Traditional Name: diethyl-[2-methoxy-5-[(Z)-C-methyl-N-(piperonyloylamino)carbonimidoyl]benzyl]ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC(=C1)C(=NNC(=O)C2=CC3=C(C=C2)OCO3)C)OC

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC(=C1)/C(=N\NC(=O)C2=CC3=C(C=C2)OCO3)/C)OC

InChI

InChI=1S/C22H27N3O4/c1-5-25(6-2)13-18-11-16(7-9-19(18)27-4)15(3)23-24-22(26)17-8-10-20-21(12-17)29-14-28-20/h7-12H,5-6,13-14H2,1-4H3,(H,24,26)/p+1/b23-15-