1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl]azanium Traditional Name: [4-[2-keto-2-(p-toluidino)ethoxy]-3-methoxy-benzyl]-piperonyl-ammonium Formula: C25H27N2O5+ MolecularWeight: 435.49228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C25H26N2O5/c1-17-3-7-20(8-4-17)27-25(28)15-30-21-9-5-18(11-23(21)29-2)13-26-14-19-6-10-22-24(12-19)32-16-31-22/h3-12,26H,13-16H2,1-2H3,(H,27,28)/p+1