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

Systemtic Name: 2-[(4-chloranyl-1,3-benzothiazol-2-yl)-(2-methylpyrazol-3-yl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-[(2-methyl-3-pyrazolyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl-diethyl-ammonium Formula: C18H23ClN5OS+ MolecularWeight: 392.92612

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=NN3C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=NN3C

InChI

InChI=1S/C18H22ClN5OS/c1-4-23(5-2)11-12-24(17(25)14-9-10-20-22(14)3)18-21-16-13(19)7-6-8-15(16)26-18/h6-10H,4-5,11-12H2,1-3H3/p+1