diethyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-2,6-dicarboxylate

Systemtic Name: diethyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-2,6-dicarboxylate Openeye Name: diethyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-2,6-dicarboxylate CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]pyridin-1-ium-2,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-2,6-dicarboxylate Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]pyridin-1-ium-2,6-dicarboxylic acid diethyl ester Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[NH+]1)C(=O)OCC)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[NH+]1)C(=O)OCC)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O5/c1-4-29-21(26)19-14-17(15-20(23-19)22(27)30-5-2)25-12-10-24(11-13-25)16-6-8-18(28-3)9-7-16/h6-9,14-15H,4-5,10-13H2,1-3H3/p+1