1,3-benzothiazol-2-ylmethyl(butyl)azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl(butyl)azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl(butyl)ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl(butyl)ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl(butyl)azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl(butyl)ammonium Formula: C12H17N2S+ MolecularWeight: 221.34178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCC[NH2+]CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H16N2S/c1-2-3-8-13-9-12-14-10-6-4-5-7-11(10)15-12/h4-7,13H,2-3,8-9H2,1H3/p+1