3-morpholin-4-ylcarbonyl-1-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-olate

Systemtic Name: 3-morpholin-4-ylcarbonyl-1-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-olate Openeye Name: 3-(morpholine-4-carbonyl)-1-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-olate CAS Name: 3-[4-morpholinyl(oxo)methyl]-1-[[4-(2-pyridinyl)-1-piperazin-1-iumyl]methyl]-2-naphthalenolate IUPAC Name: 3-(morpholine-4-carbonyl)-1-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-olate Traditional Name: 3-(morpholine-4-carbonyl)-1-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-olate Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=CC3=CC=CC=C32)C(=O)N4CCOCC4)[O-])C5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=CC3=CC=CC=C32)C(=O)N4CCOCC4)[O-])C5=CC=CC=N5

InChI

InChI=1S/C25H28N4O3/c30-24-21(25(31)29-13-15-32-16-14-29)17-19-5-1-2-6-20(19)22(24)18-27-9-11-28(12-10-27)23-7-3-4-8-26-23/h1-8,17,30H,9-16,18H2