1-(4-phenylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(4-phenylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(4-phenylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(4-phenylphenyl)-4-[4-(4-pyridin-1-iumyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-phenylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(4-phenylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazino)butane-1,4-dione Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2/c29-24(22-8-6-21(7-9-22)20-4-2-1-3-5-20)10-11-25(30)28-18-16-27(17-19-28)23-12-14-26-15-13-23/h1-9,12-15H,10-11,16-19H2/p+1