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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]propyl-dimethyl-ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-23(2)12-7-13-24(21-22-15-8-3-6-11-19(15)28-21)20(25)18-14-26-16-9-4-5-10-17(16)27-18/h3-6,8-11,18H,7,12-14H2,1-2H3/p+1/t18-/m1/s1