[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl]-methyl-ammonium CAS Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl]-methylazanium Traditional Name: benzyl-[(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl]-methyl-ammonium Formula: C20H20N3OS+ MolecularWeight: 350.4573

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3OS/c1-22(13-15-8-4-3-5-9-15)14-18(24)16(12-21)20-23(2)17-10-6-7-11-19(17)25-20/h3-11H,13-14H2,1-2H3/p+1/b20-16-