2-[2-methoxy-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[2-methoxy-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]-1-morpholin-4-yl-ethanone Openeye Name: 2-[2-methoxy-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenoxy]-1-morpholino-ethanone CAS Name: 2-[2-methoxy-4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]phenoxy]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[2-methoxy-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenoxy]-1-morpholin-4-ylethanone Traditional Name: 2-[2-methoxy-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenoxy]-1-morpholino-ethanone Formula: C26H34N3O6+ MolecularWeight: 484.56466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)OCC(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)OCC(=O)N4CCOCC4

InChI

InChI=1S/C26H33N3O6/c1-32-24-19-21(7-8-23(24)35-20-25(30)28-14-16-33-17-15-28)26(31)29-11-9-27(10-12-29)13-18-34-22-5-3-2-4-6-22/h2-8,19H,9-18,20H2,1H3/p+1