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

Systemtic Name: 3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(5-methylisoxazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(5-methyl-3-isoxazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(5-methyl-1,2-oxazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(5-methylisoxazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

Isomeric SMILES

CC1=CC(=NO1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

InChI

InChI=1S/C18H21ClN4O3S/c1-11-10-13(21-26-11)17(24)23(9-5-8-22(2)3)18-20-15-14(25-4)7-6-12(19)16(15)27-18/h6-7,10H,5,8-9H2,1-4H3/p+1