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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl(pentyl)azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl(pentyl)ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl(pentyl)ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl(pentyl)azanium Traditional Name: amyl(1,3-benzothiazol-2-ylmethyl)ammonium Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2S/c1-2-3-6-9-14-10-13-15-11-7-4-5-8-12(11)16-13/h4-5,7-8,14H,2-3,6,9-10H2,1H3/p+1