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

Systemtic Name: 2-[(4-ethyl-1,3-benzothiazol-2-yl)-(2-methylpyrazol-3-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethyl-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-ethyl-1,3-benzothiazol-2-yl)-[(2-methyl-3-pyrazolyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethyl-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethyl-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=NN3C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=NN3C

InChI

InChI=1S/C18H23N5OS/c1-5-13-7-6-8-15-16(13)20-18(25-15)23(12-11-21(2)3)17(24)14-9-10-19-22(14)4/h6-10H,5,11-12H2,1-4H3/p+1