2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazol-3-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazol-3-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazole-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H23ClN5O2S+ MolecularWeight: 408.92552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC)C

InChI

InChI=1S/C18H22ClN5O2S/c1-11-10-13(23(4)21-11)17(25)24(9-8-22(2)3)18-20-15-14(26-5)7-6-12(19)16(15)27-18/h6-7,10H,8-9H2,1-5H3/p+1