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

Systemtic Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O3S/c1-14-8-9-15-19(12-14)28-21(22-15)24(11-10-23(2)3)20(25)18-13-26-16-6-4-5-7-17(16)27-18/h4-9,12,18H,10-11,13H2,1-3H3/p+1/t18-/m1/s1