3-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-[(3-methyl-1,2-oxazol-5-yl)carbonyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-[(3-methyl-1,2-oxazol-5-yl)carbonyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-methylisoxazole-5-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-[(3-methyl-5-isoxazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-methyl-1,2-oxazole-5-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-methylisoxazole-5-carbonyl)amino]propyl-dimethyl-ammonium Formula: C18H22ClN4O2S+ MolecularWeight: 393.91088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC(=NO3)C

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC(=NO3)C

InChI

InChI=1S/C18H21ClN4O2S/c1-11-6-7-13(19)16-15(11)20-18(26-16)23(9-5-8-22(3)4)17(24)14-10-12(2)21-25-14/h6-7,10H,5,8-9H2,1-4H3/p+1