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

Systemtic Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H27N3O3S/c1-4-16-10-11-17-21(14-16)30-23(24-17)26(13-7-12-25(2)3)22(27)20-15-28-18-8-5-6-9-19(18)29-20/h5-6,8-11,14,20H,4,7,12-13,15H2,1-3H3/p+1/t20-/m1/s1