[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-propyl-azanium

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-propyl-azanium Openeye Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-[2-(2-methoxyanilino)-2-oxo-ethyl]-propyl-ammonium CAS Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-propylammonium IUPAC Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium Traditional Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-[2-keto-2-(o-anisidino)ethyl]-propyl-ammonium Formula: C20H25N2O5+ MolecularWeight: 373.4229

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC2=C(C=C1O)OCO2)CC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCC[NH+](CC1=CC2=C(C=C1O)OCO2)CC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C20H24N2O5/c1-3-8-22(11-14-9-18-19(10-16(14)23)27-13-26-18)12-20(24)21-15-6-4-5-7-17(15)25-2/h4-7,9-10,23H,3,8,11-13H2,1-2H3,(H,21,24)/p+1