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

Systemtic Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]-cyclohexyl-methyl-azanium Openeye Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl]-cyclohexyl-methyl-ammonium CAS Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]-cyclohexyl-methylammonium IUPAC Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]-cyclohexyl-methylazanium Traditional Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl]-cyclohexyl-methyl-ammonium Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)C(=C1NC2=CC=CC=C2S1)C#N)C3CCCCC3

Isomeric SMILES

C[NH+](CC(=O)C(=C1NC2=CC=CC=C2S1)C#N)C3CCCCC3

InChI

InChI=1S/C18H21N3OS/c1-21(13-7-3-2-4-8-13)12-16(22)14(11-19)18-20-15-9-5-6-10-17(15)23-18/h5-6,9-10,13,20H,2-4,7-8,12H2,1H3/p+1