[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxidanylidene-propyl]-dipropyl-azanium

Systemtic Name: [3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxidanylidene-propyl]-dipropyl-azanium Openeye Name: [3-[4-(4-chlorophenyl)thiazol-2-yl]-3-cyano-2-oxo-propyl]-dipropyl-ammonium CAS Name: [3-[4-(4-chlorophenyl)-2-thiazolyl]-3-cyano-2-oxopropyl]-dipropylammonium IUPAC Name: [3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxopropyl]-dipropylazanium Traditional Name: [3-[4-(4-chlorophenyl)thiazol-2-yl]-3-cyano-2-keto-propyl]-dipropyl-ammonium Formula: C19H23ClN3OS+ MolecularWeight: 376.92342

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC[NH+](CCC)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClN3OS/c1-3-9-23(10-4-2)12-18(24)16(11-21)19-22-17(13-25-19)14-5-7-15(20)8-6-14/h5-8,13,16H,3-4,9-10,12H2,1-2H3/p+1