[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic 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] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-keto-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] ester Formula: C26H29N2O4S+ MolecularWeight: 465.58446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)COC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)COC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H28N2O4S/c29-25(28-14-12-27(13-15-28)16-17-31-23-8-2-1-3-9-23)19-32-26(30)20-33-24-11-10-21-6-4-5-7-22(21)18-24/h1-11,18H,12-17,19-20H2/p+1