3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(1,2-oxazol-5-ylcarbonyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(1,2-oxazol-5-ylcarbonyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(isoxazole-5-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[5-isoxazolyl(oxo)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(1,2-oxazole-5-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(isoxazole-5-carbonyl)amino]propyl-dimethyl-ammonium Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=NO3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=NO3)C

InChI

InChI=1S/C18H22N4O2S/c1-12-10-13(2)16-14(11-12)20-18(25-16)22(9-5-8-21(3)4)17(23)15-6-7-19-24-15/h6-7,10-11H,5,8-9H2,1-4H3/p+1