2-[2-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phenoxy]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[2-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phenoxy]-1-morpholin-4-yl-ethanone Openeye Name: 2-[2-methoxy-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenoxy]-1-morpholino-ethanone CAS Name: 2-[2-methoxy-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[2-methoxy-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenoxy]-1-morpholin-4-ylethanone Traditional Name: 2-[2-methoxy-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenoxy]-1-morpholino-ethanone Formula: C23H29N4O5+ MolecularWeight: 441.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC(=O)N4CCOCC4

InChI

InChI=1S/C23H28N4O5/c1-30-20-16-18(5-6-19(20)32-17-22(28)26-12-14-31-15-13-26)23(29)27-10-8-25(9-11-27)21-4-2-3-7-24-21/h2-7,16H,8-15,17H2,1H3/p+1