2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H27N3O3S/c1-4-25(5-2)13-14-26(23-24-21-16(3)9-8-12-20(21)30-23)22(27)19-15-28-17-10-6-7-11-18(17)29-19/h6-12,19H,4-5,13-15H2,1-3H3/p+1/t19-/m1/s1