3-[(6-chloranyl-1,3-benzothiazol-2-yl)-[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-chloranyl-1,3-benzothiazol-2-yl)-[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(5-methylisoxazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-[(5-methyl-3-isoxazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(5-methyl-1,2-oxazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(5-methylisoxazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C17H20ClN4O2S+ MolecularWeight: 379.8843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NO1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4O2S/c1-11-9-14(20-24-11)16(23)22(8-4-7-21(2)3)17-19-13-6-5-12(18)10-15(13)25-17/h5-6,9-10H,4,7-8H2,1-3H3/p+1