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

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-4-[oxidanyl-(4-propan-2-yloxyphenyl)methylidene]-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(4-isopropoxyphenyl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-(4-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-4-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(4-isopropoxyphenyl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-quinone Formula: C25H31N3O5+2 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=[NH+]C=C4)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=[NH+]C=C4)O

InChI

InChI=1S/C25H29N3O5/c1-17(2)33-20-5-3-19(4-6-20)23(29)21-22(18-7-9-26-10-8-18)28(25(31)24(21)30)12-11-27-13-15-32-16-14-27/h3-10,17,22,29H,11-16H2,1-2H3/p+2