2-(1,3-benzothiazol-2-yl)ethyl-heptan-4-yl-azanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)ethyl-heptan-4-yl-azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)ethyl-(1-propylbutyl)ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)ethyl-heptan-4-ylammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)ethyl-heptan-4-ylazanium Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-(1-propylbutyl)ammonium Formula: C16H25N2S+ MolecularWeight: 277.4481

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCC(CCC)[NH2+]CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H24N2S/c1-3-7-13(8-4-2)17-12-11-16-18-14-9-5-6-10-15(14)19-16/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3/p+1