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

Systemtic Name: 2-[1,3-benzothiazol-2-yl(butanoyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl(butanoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl(1-oxobutyl)amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl(butanoyl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl(butyryl)amino]ethyl-diethyl-ammonium Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS/c1-4-9-16(21)20(13-12-19(5-2)6-3)17-18-14-10-7-8-11-15(14)22-17/h7-8,10-11H,4-6,9,12-13H2,1-3H3/p+1