3-butyl-2-phenethyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-butyl-2-phenethyl-1,3-benzothiazol-3-ium Openeye Name: 3-butyl-2-phenethyl-1,3-benzothiazol-3-ium CAS Name: 3-butyl-2-phenethyl-1,3-benzothiazol-3-ium IUPAC Name: 3-butyl-2-phenethyl-1,3-benzothiazol-3-ium Traditional Name: 3-butyl-2-phenethyl-1,3-benzothiazol-3-ium Formula: C19H22NS+ MolecularWeight: 296.44968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(SC2=CC=CC=C21)CCC3=CC=CC=C3

Isomeric SMILES

CCCC[N+]1=C(SC2=CC=CC=C21)CCC3=CC=CC=C3

InChI

InChI=1S/C19H22NS/c1-2-3-15-20-17-11-7-8-12-18(17)21-19(20)14-13-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3/q+1