(2-morpholin-4-ylpyridin-1-ium-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-morpholin-4-ylpyridin-1-ium-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-morpholinopyridin-1-ium-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(4-morpholinyl)-3-pyridin-1-iumyl]-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-morpholin-4-ylpyridin-1-ium-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-morpholinopyridin-1-ium-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C22H30N4O3+2 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=C([NH+]=CC=C3)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=C([NH+]=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H28N4O3/c27-22(20-7-4-8-23-21(20)25-14-16-28-17-15-25)26-11-9-24(10-12-26)13-18-29-19-5-2-1-3-6-19/h1-8H,9-18H2/p+2