2-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[2,3-dihydro-p-dioxin-5-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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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)C3=COCCO3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=COCCO3

InChI

InChI=1S/C17H21N3O3S/c1-12-4-5-13-15(10-12)24-17(18-13)20(7-6-19(2)3)16(21)14-11-22-8-9-23-14/h4-5,10-11H,6-9H2,1-3H3/p+1