1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-4-(4-phenylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-4-(4-phenylphenyl)butane-1,4-dione Openeye Name: 1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-4-(4-phenylphenyl)butane-1,4-dione CAS Name: 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-4-(4-phenylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-4-(4-phenylphenyl)butane-1,4-dione Traditional Name: 1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-4-(4-phenylphenyl)butane-1,4-dione Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3/c30-24(23-10-8-22(9-11-23)21-6-2-1-3-7-21)12-13-25(31)29-18-16-27(17-19-29)20-26(32)28-14-4-5-15-28/h1-3,6-11H,4-5,12-20H2/p+1