[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoate CAS Name: 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate Traditional Name: 4-(2-chlorobenzyl)oxy-3-methoxy-benzoic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C26H27ClN3O5+ MolecularWeight: 496.96268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C26H26ClN3O5/c1-33-23-16-19(9-10-22(23)34-17-20-6-2-3-7-21(20)27)26(32)35-18-25(31)30-14-12-29(13-15-30)24-8-4-5-11-28-24/h2-11,16H,12-15,17-18H2,1H3/p+1