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

Systemtic Name: ethyl 1-[5-(4-chlorophenyl)-1,2-dithiol-3-ylidene]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[5-(4-chlorophenyl)dithiol-3-ylidene]piperidin-1-ium-4-carboxylate CAS Name: 1-[5-(4-chlorophenyl)-3-dithiolylidene]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-chlorophenyl)dithiol-3-ylidene]piperidin-1-ium-4-carboxylate Traditional Name: 1-[5-(4-chlorophenyl)dithiol-3-ylidene]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H19ClNO2S2+ MolecularWeight: 368.92126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClNO2S2/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/h3-6,11,13H,2,7-10H2,1H3/q+1