2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(2S)-2-ethylpiperidin-1-ium-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(2S)-2-ethylpiperidin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-[4-(4-chlorophenyl)thiazol-2-yl]-4-[(2S)-2-ethylpiperidin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: 2-[4-(4-chlorophenyl)-2-thiazolyl]-4-[(2S)-2-ethyl-1-piperidin-1-iumyl]-3-oxobutanenitrile IUPAC Name: 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(2S)-2-ethylpiperidin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: 2-[4-(4-chlorophenyl)thiazol-2-yl]-4-[(2S)-2-ethylpiperidin-1-ium-1-yl]-3-keto-butyronitrile Formula: C20H23ClN3OS+ MolecularWeight: 388.93412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3OS/c1-2-16-5-3-4-10-24(16)12-19(25)17(11-22)20-23-18(13-26-20)14-6-8-15(21)9-7-14/h6-9,13,16-17H,2-5,10,12H2,1H3/p+1/t16-,17?/m0/s1