2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-bis[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-bis[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-bis[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-bis[2-(4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-bis[2-(4-methylanilino)-2-oxoethyl]azanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-bis[2-keto-2-(p-toluidino)ethyl]ammonium Formula: C28H32N3O4+ MolecularWeight: 474.57138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](CCC2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](CCC2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C28H31N3O4/c1-20-3-8-23(9-4-20)29-27(32)18-31(19-28(33)30-24-10-5-21(2)6-11-24)14-13-22-7-12-25-26(17-22)35-16-15-34-25/h3-12,17H,13-16,18-19H2,1-2H3,(H,29,32)(H,30,33)/p+1