2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S)-1,4-dimethylpentyl]ammonium Formula: C16H25N2S+ MolecularWeight: 277.4481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2S/c1-12(2)8-9-13(3)17-11-10-16-18-14-6-4-5-7-15(14)19-16/h4-7,12-13,17H,8-11H2,1-3H3/p+1/t13-/m0/s1