2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-(6-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(S1)C=C(C=C2)C)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H27N3O3S/c1-4-25(5-2)12-13-26(23-24-17-11-10-16(3)14-21(17)30-23)22(27)20-15-28-18-8-6-7-9-19(18)29-20/h6-11,14,20H,4-5,12-13,15H2,1-3H3/p+1/t20-/m1/s1