(4E)-4-ethylidene-1-[4-[[1-(hydroxymethyl)-4-phenyl-2H-pyridin-1-ium-1-yl]methylamino]phenyl]-2-methyl-pyrazolidin-3-one

Systemtic Name: (4E)-4-ethylidene-1-[4-[[1-(hydroxymethyl)-4-phenyl-2H-pyridin-1-ium-1-yl]methylamino]phenyl]-2-methyl-pyrazolidin-3-one Openeye Name: (4E)-4-ethylidene-1-[4-[[1-(hydroxymethyl)-4-phenyl-2H-pyridin-1-ium-1-yl]methylamino]phenyl]-2-methyl-pyrazolidin-3-one CAS Name: (4E)-4-ethylidene-1-[4-[[1-(hydroxymethyl)-4-phenyl-2H-pyridin-1-ium-1-yl]methylamino]phenyl]-2-methyl-3-pyrazolidinone IUPAC Name: (4E)-4-ethylidene-1-[4-[[1-(hydroxymethyl)-4-phenyl-2H-pyridin-1-ium-1-yl]methylamino]phenyl]-2-methylpyrazolidin-3-one Traditional Name: (4E)-4-ethylidene-2-methyl-1-[4-[(1-methylol-4-phenyl-2H-pyridin-1-ium-1-yl)methylamino]phenyl]pyrazolidin-3-one Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1CN(N(C1=O)C)C2=CC=C(C=C2)NC[N+]3(CC=C(C=C3)C4=CC=CC=C4)CO

Isomeric SMILES

C/C=C/1\CN(N(C1=O)C)C2=CC=C(C=C2)NC[N+]3(CC=C(C=C3)C4=CC=CC=C4)CO

InChI

InChI=1S/C25H29N4O2/c1-3-20-17-28(27(2)25(20)31)24-11-9-23(10-12-24)26-18-29(19-30)15-13-22(14-16-29)21-7-5-4-6-8-21/h3-15,26,30H,16-19H2,1-2H3/q+1/b20-3+