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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[[3,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: [2-(3,5-dicarbomethoxyanilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H23N2O7+ MolecularWeight: 415.41652

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H22N2O7/c1-23(10-13-4-5-17-18(6-13)30-12-29-17)11-19(24)22-16-8-14(20(25)27-2)7-15(9-16)21(26)28-3/h4-9H,10-12H2,1-3H3,(H,22,24)/p+1