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

Systemtic Name: 3-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[2,3-dihydro-1,4-dioxine-5-carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[2,3-dihydro-1,4-dioxine-5-carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[2,3-dihydro-p-dioxin-5-carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=COCCO3

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=COCCO3

InChI

InChI=1S/C18H23N3O3S/c1-13-6-4-7-15-16(13)19-18(25-15)21(9-5-8-20(2)3)17(22)14-12-23-10-11-24-14/h4,6-7,12H,5,8-11H2,1-3H3/p+1