3-[(4-chloranyl-1,3-benzothiazol-2-yl)-(2-methylpyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-chloranyl-1,3-benzothiazol-2-yl)-(2-methylpyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-[(2-methyl-3-pyrazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C17H21ClN5OS+ MolecularWeight: 378.89954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CN1C(=CC=N1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C17H20ClN5OS/c1-21(2)10-5-11-23(16(24)13-8-9-19-22(13)3)17-20-15-12(18)6-4-7-14(15)25-17/h4,6-9H,5,10-11H2,1-3H3/p+1