4-[[3-methyl-4-(2-methylpropoxy)phenyl]-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-[[3-methyl-4-(2-methylpropoxy)phenyl]-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C27H35N3O5+2 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=C[NH+]=CC=C4)O)OCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=C[NH+]=CC=C4)O)OCC(C)C

InChI

InChI=1S/C27H33N3O5/c1-18(2)17-35-22-7-6-20(15-19(22)3)25(31)23-24(21-5-4-8-28-16-21)30(27(33)26(23)32)10-9-29-11-13-34-14-12-29/h4-8,15-16,18,24,31H,9-14,17H2,1-3H3/p+2