1-(2-phenylindolizin-3-yl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethane-1,2-dione

Systemtic Name: 1-(2-phenylindolizin-3-yl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethane-1,2-dione Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione CAS Name: 1-(2-phenyl-3-indolizinyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethane-1,2-dione IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione Formula: C27H26N3O2+ MolecularWeight: 424.51424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(=O)C3=C(C=C4N3C=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(=O)C3=C(C=C4N3C=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2/c31-26(27(32)29-17-15-28(16-18-29)20-21-9-3-1-4-10-21)25-24(22-11-5-2-6-12-22)19-23-13-7-8-14-30(23)25/h1-14,19H,15-18,20H2/p+1