3-butyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-butyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium Openeye Name: 2-benzyl-3-butyl-1,3-benzothiazol-3-ium CAS Name: 3-butyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium IUPAC Name: 2-benzyl-3-butyl-1,3-benzothiazol-3-ium Traditional Name: 2-benzyl-3-butyl-1,3-benzothiazol-3-ium Formula: C18H20NS+ MolecularWeight: 282.4231

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(SC2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCC[N+]1=C(SC2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C18H20NS/c1-2-3-13-19-16-11-7-8-12-17(16)20-18(19)14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3/q+1