2-[(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(2-ethylpyrazol-3-yl)carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(2-ethylpyrazol-3-yl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-ethylpyrazole-3-carbonyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-[(2-ethyl-3-pyrazolyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-ethylpyrazole-3-carbonyl)amino]ethyl-diethylazanium Traditional Name: 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-ethylpyrazole-3-carbonyl)amino]ethyl-diethyl-ammonium Formula: C20H27ClN5OS+ MolecularWeight: 420.97928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)N(CC[NH+](CC)CC)C2=NC3=C(S2)C=CC(=C3C)Cl

Isomeric SMILES

CCN1C(=CC=N1)C(=O)N(CC[NH+](CC)CC)C2=NC3=C(S2)C=CC(=C3C)Cl

InChI

InChI=1S/C20H26ClN5OS/c1-5-24(6-2)12-13-25(19(27)16-10-11-22-26(16)7-3)20-23-18-14(4)15(21)8-9-17(18)28-20/h8-11H,5-7,12-13H2,1-4H3/p+1