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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-[(3-methyl-1,2-oxazol-5-yl)carbonyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(3-methylisoxazole-5-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(3-methyl-5-isoxazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(3-methyl-1,2-oxazole-5-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(3-methylisoxazole-5-carbonyl)amino]propyl-dimethyl-ammonium Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=NOC(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N4O2S/c1-12-11-14(23-19-12)16(22)21(10-6-9-20(2)3)17-18-13-7-4-5-8-15(13)24-17/h4-5,7-8,11H,6,9-10H2,1-3H3/p+1