[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] 5-methylfuran-2-carboxylate

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] 5-methylfuran-2-carboxylate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl] 5-methylfuran-2-carboxylate CAS Name: 5-methyl-2-furancarboxylic acid [2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl] 5-methylfuran-2-carboxylate Traditional Name: 5-methylfuran-2-carboxylic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl] ester Formula: C17H20ClN2O4S+ MolecularWeight: 383.8697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)OCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=C(O1)C(=O)OCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H19ClN2O4S/c1-12-2-4-14(24-12)17(22)23-11-16(21)20-8-6-19(7-9-20)10-13-3-5-15(18)25-13/h2-5H,6-11H2,1H3/p+1