ethyl 1-[5-(4-chlorophenyl)-1,2-dithiol-3-ylidene]piperidin-1-ium-4-carboxylate perchlorate

Systemtic Name: ethyl 1-[5-(4-chlorophenyl)-1,2-dithiol-3-ylidene]piperidin-1-ium-4-carboxylate perchlorate Openeye Name: ethyl 1-[5-(4-chlorophenyl)dithiol-3-ylidene]piperidin-1-ium-4-carboxylate perchlorate CAS Name: 1-[5-(4-chlorophenyl)-3-dithiolylidene]-4-piperidin-1-iumcarboxylic acid ethyl ester perchlorate IUPAC Name: ethyl 1-[5-(4-chlorophenyl)dithiol-3-ylidene]piperidin-1-ium-4-carboxylate perchlorate Traditional Name: 1-[5-(4-chlorophenyl)dithiol-3-ylidene]piperidin-1-ium-4-carboxylic acid ethyl ester perchlorate Formula: C17H19Cl2NO6S2 MolecularWeight: 468.37186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[N+](=C2C=C(SS2)C3=CC=C(C=C3)Cl)CC1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C1CC[N+](=C2C=C(SS2)C3=CC=C(C=C3)Cl)CC1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H19ClNO2S2.ClHO4/c1-2-21-17(20)13-7-9-19(10-8-13)16-11-15(22-23-16)12-3-5-14(18)6-4-12;2-1(3,4)5/h3-6,11,13H,2,7-10H2,1H3;(H,2,3,4,5)/q+1;/p-1