2-[butanoyl-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[butanoyl-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[butanoyl-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(1-oxobutyl)amino]ethyl-diethylammonium IUPAC Name: 2-[butanoyl-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[butyryl-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C18H27ClN3O2S+ MolecularWeight: 384.94388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC[NH+](CC)CC)C1=NC2=C(C=CC(=C2S1)Cl)OC

Isomeric SMILES

CCCC(=O)N(CC[NH+](CC)CC)C1=NC2=C(C=CC(=C2S1)Cl)OC

InChI

InChI=1S/C18H26ClN3O2S/c1-5-8-15(23)22(12-11-21(6-2)7-3)18-20-16-14(24-4)10-9-13(19)17(16)25-18/h9-10H,5-8,11-12H2,1-4H3/p+1