(E)-[4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; piperidin-1-ium

Systemtic Name: (E)-[4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; piperidin-1-ium Openeye Name: (E)-[4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; piperidin-1-ium CAS Name: (E)-[4-(4-chlorophenyl)-5-cyano-6-mercapto-2-methyl-4H-pyridin-3-ylidene]-ethoxymethanolate; piperidin-1-ium IUPAC Name: (E)-[4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxymethanolate; piperidin-1-ium Traditional Name: (E)-[4-(4-chlorophenyl)-5-cyano-6-mercapto-2-methyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; piperidin-1-ium Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(=C(N=C1C)S)C#N)C2=CC=C(C=C2)Cl)[O-].C1CC[NH2+]CC1

Isomeric SMILES

CCO/C(=C/1\C(C(=C(N=C1C)S)C#N)C2=CC=C(C=C2)Cl)/[O-].C1CC[NH2+]CC1

InChI

InChI=1S/C16H15ClN2O2S.C5H11N/c1-3-21-16(20)13-9(2)19-15(22)12(8-18)14(13)10-4-6-11(17)7-5-10;1-2-4-6-5-3-1/h4-7,14,20,22H,3H2,1-2H3;6H,1-5H2/b16-13-;