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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-heptan-2-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-methylhexyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-heptan-2-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-heptan-2-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-methylhexyl]ammonium Formula: C15H23N2S+ MolecularWeight: 263.42152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2S/c1-3-4-5-8-12(2)16-11-15-17-13-9-6-7-10-14(13)18-15/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3/p+1/t12-/m0/s1