1,3-benzodioxol-5-ylmethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C20H23N2O5+ MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O5/c1-22(11-15-5-8-17-18(9-15)27-13-26-17)12-19(23)21-10-14-3-6-16(7-4-14)20(24)25-2/h3-9H,10-13H2,1-2H3,(H,21,23)/p+1