2-(1-ethylpiperidin-1-ium-1-yl)carbonyl-3-oxidanylidene-4-[4-(1,2-thiazol-3-yloxy)phenoxy]pentanenitrile

Systemtic Name: 2-(1-ethylpiperidin-1-ium-1-yl)carbonyl-3-oxidanylidene-4-[4-(1,2-thiazol-3-yloxy)phenoxy]pentanenitrile Openeye Name: 2-(1-ethylpiperidin-1-ium-1-carbonyl)-4-(4-isothiazol-3-yloxyphenoxy)-3-oxo-pentanenitrile CAS Name: 2-[(1-ethyl-1-piperidin-1-iumyl)-oxomethyl]-4-[4-(3-isothiazolyloxy)phenoxy]-3-oxopentanenitrile IUPAC Name: 2-(1-ethylpiperidin-1-ium-1-carbonyl)-3-oxo-4-[4-(1,2-thiazol-3-yloxy)phenoxy]pentanenitrile Traditional Name: 2-(1-ethylpiperidin-1-ium-1-carbonyl)-4-(4-isothiazol-3-yloxyphenoxy)-3-keto-valeronitrile Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)C(=O)C(C#N)C(=O)C(C)OC2=CC=C(C=C2)OC3=NSC=C3

Isomeric SMILES

CC[N+]1(CCCCC1)C(=O)C(C#N)C(=O)C(C)OC2=CC=C(C=C2)OC3=NSC=C3

InChI

InChI=1S/C22H26N3O4S/c1-3-25(12-5-4-6-13-25)22(27)19(15-23)21(26)16(2)28-17-7-9-18(10-8-17)29-20-11-14-30-24-20/h7-11,14,16,19H,3-6,12-13H2,1-2H3/q+1