1,3-benzodioxol-5-ylmethyl-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C17H21N4O5+ MolecularWeight: 361.37244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C17H20N4O5/c1-21(8-11-4-5-12-13(6-11)26-10-25-12)9-14(22)18-17-19-15(23-2)7-16(20-17)24-3/h4-7H,8-10H2,1-3H3,(H,18,19,20,22)/p+1