[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-oxo-2-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-keto-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] ester Formula: C28H29N2O5+ MolecularWeight: 473.54026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C28H28N2O5/c31-26(30-16-14-29(15-17-30)18-19-33-21-8-2-1-3-9-21)20-34-28(32)27-22-10-4-6-12-24(22)35-25-13-7-5-11-23(25)27/h1-13,27H,14-20H2/p+1