[(5S)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxidanylidene-pentyl]-(phenylmethyl)azanium

Systemtic Name: [(5S)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxidanylidene-pentyl]-(phenylmethyl)azanium Openeye Name: [(5S)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxo-pentyl]-benzyl-ammonium CAS Name: [(5S)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxopentyl]-(phenylmethyl)ammonium IUPAC Name: [(5S)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxopentyl]-benzylazanium Traditional Name: [(5S)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-keto-pentyl]-benzyl-ammonium Formula: C20H20N3OS+ MolecularWeight: 350.4573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CCCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CCCC(=O)[C@H](C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19N3OS/c21-13-16(20-23-17-9-4-5-11-19(17)25-20)18(24)10-6-12-22-14-15-7-2-1-3-8-15/h1-5,7-9,11,16,22H,6,10,12,14H2/p+1/t16-/m0/s1