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

Systemtic Name: 3-(phenylmethyl)-1,3-benzothiazol-3-ium-2-amine Openeye Name: 3-benzyl-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-(phenylmethyl)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: 3-benzyl-1,3-benzothiazol-3-ium-2-amine Traditional Name: (3-benzyl-1,3-benzothiazol-3-ium-2-yl)amine Formula: C14H13N2S+ MolecularWeight: 241.33142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(SC3=CC=CC=C32)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(SC3=CC=CC=C32)N

InChI

InChI=1S/C14H12N2S/c15-14-16(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9,15H,10H2/p+1