[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl]-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl]-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-2-oxo-ethyl]-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylammonium IUPAC Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-2-keto-ethyl]-[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC(=O)N(C)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC(=O)N(C)C[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C23H29N3O4/c1-16-8-7-9-17(2)23(16)24-21(27)13-25(3)14-22(28)26(4)12-18-15-29-19-10-5-6-11-20(19)30-18/h5-11,18H,12-15H2,1-4H3,(H,24,27)/p+1/t18-/m1/s1