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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-octan-2-yl]azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S)-1-methylheptyl]ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-octan-2-yl]ammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-octan-2-yl]azanium Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S)-1-methylheptyl]ammonium Formula: C17H27N2S+ MolecularWeight: 291.47468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2S/c1-3-4-5-6-9-14(2)18-13-12-17-19-15-10-7-8-11-16(15)20-17/h7-8,10-11,14,18H,3-6,9,12-13H2,1-2H3/p+1/t14-/m0/s1