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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[[2-(3-methoxyanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium Traditional Name: [2-keto-2-[[2-keto-2-(m-anisidino)ethyl]-methyl-amino]ethyl]-methyl-piperonyl-ammonium Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-23(11-15-7-8-18-19(9-15)29-14-28-18)13-21(26)24(2)12-20(25)22-16-5-4-6-17(10-16)27-3/h4-10H,11-14H2,1-3H3,(H,22,25)/p+1