1-(4-phenylphenyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-phenylphenyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(4-phenylphenyl)-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-(4-phenylphenyl)-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(4-phenylphenyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-(4-phenylphenyl)-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2/c30-25(24-8-6-23(7-9-24)22-4-2-1-3-5-22)10-11-26(31)29-18-16-28(17-19-29)20-21-12-14-27-15-13-21/h1-9,12-15H,10-11,16-20H2/p+1