2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-heptan-2-yl]azanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-heptan-2-yl]azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S)-1-methylhexyl]ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-heptan-2-yl]ammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-heptan-2-yl]azanium Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S)-1-methylhexyl]ammonium Formula: C16H25N2S+ MolecularWeight: 277.4481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H24N2S/c1-3-4-5-8-13(2)17-12-11-16-18-14-9-6-7-10-15(14)19-16/h6-7,9-10,13,17H,3-5,8,11-12H2,1-2H3/p+1/t13-/m0/s1