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

Systemtic Name: 2-phenethyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium Openeye Name: 3-benzyl-2-phenethyl-1,3-benzothiazol-3-ium CAS Name: 2-phenethyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-benzyl-2-phenethyl-1,3-benzothiazol-3-ium Traditional Name: 3-benzyl-2-phenethyl-1,3-benzothiazol-3-ium Formula: C22H20NS+ MolecularWeight: 330.4659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=[N+](C3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=[N+](C3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C22H20NS/c1-3-9-18(10-4-1)15-16-22-23(17-19-11-5-2-6-12-19)20-13-7-8-14-21(20)24-22/h1-14H,15-17H2/q+1