5-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-4-one

Systemtic Name: 5-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(2-morpholino-2-oxo-ethoxy)pyran-4-one CAS Name: 5-[2-(4-morpholinyl)-2-oxoethoxy]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(2-morpholin-4-yl-2-oxoethoxy)pyran-4-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(2-keto-2-morpholino-ethoxy)pyran-4-one Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O5/c27-21-14-20(30-17-22(21)31-18-23(28)26-10-12-29-13-11-26)16-25-8-6-24(7-9-25)15-19-4-2-1-3-5-19/h1-5,14,17H,6-13,15-16,18H2/p+1