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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCC[C@H](C)[NH2+]CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H24N2S/c1-3-4-5-6-9-13(2)17-12-16-18-14-10-7-8-11-15(14)19-16/h7-8,10-11,13,17H,3-6,9,12H2,1-2H3/p+1/t13-/m0/s1