[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] 3-methoxynaphthalene-2-carboxylate

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] 3-methoxynaphthalene-2-carboxylate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl] 3-methoxynaphthalene-2-carboxylate CAS Name: 3-methoxy-2-naphthalenecarboxylic 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] 3-methoxynaphthalene-2-carboxylate Traditional Name: 3-methoxynaphthalene-2-carboxylic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl] ester Formula: C23H24ClN2O4S+ MolecularWeight: 459.96566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C23H23ClN2O4S/c1-29-20-13-17-5-3-2-4-16(17)12-19(20)23(28)30-15-22(27)26-10-8-25(9-11-26)14-18-6-7-21(24)31-18/h2-7,12-13H,8-11,14-15H2,1H3/p+1