methyl-(phenylmethyl)-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Openeye Name: benzyl-methyl-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium CAS Name: methyl-(phenylmethyl)-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]ammonium IUPAC Name: benzyl-methyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Traditional Name: benzyl-methyl-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium Formula: C16H17N2S2+ MolecularWeight: 301.44958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C3=CC=CC=C3SC2=S

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C16H16N2S2/c1-17(11-13-7-3-2-4-8-13)12-18-14-9-5-6-10-15(14)20-16(18)19/h2-10H,11-12H2,1H3/p+1