[2-[[5-(1,3-benzodioxol-5-ylcarbonylamino)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[5-(1,3-benzodioxol-5-ylcarbonylamino)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[5-(1,3-benzodioxole-5-carbonylamino)-2-methyl-anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-methylanilino]-2-oxoethyl]ammonium IUPAC Name: [2-[5-(1,3-benzodioxole-5-carbonylamino)-2-methylanilino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[2-methyl-5-(piperonyloylamino)anilino]ethyl]ammonium Formula: C17H18N3O4+ MolecularWeight: 328.34252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C[NH3+]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C[NH3+]

InChI

InChI=1S/C17H17N3O4/c1-10-2-4-12(7-13(10)20-16(21)8-18)19-17(22)11-3-5-14-15(6-11)24-9-23-14/h2-7H,8-9,18H2,1H3,(H,19,22)(H,20,21)/p+1