2-phenyl-2-[4-(4-phenylpiperazin-1-yl)butyl]indene-1,3-dione sulfate

Systemtic Name: 2-phenyl-2-[4-(4-phenylpiperazin-1-yl)butyl]indene-1,3-dione sulfate Openeye Name: 2-phenyl-2-[4-(4-phenylpiperazin-1-yl)butyl]indane-1,3-dione sulfate CAS Name: 2-phenyl-2-[4-(4-phenyl-1-piperazinyl)butyl]indene-1,3-dione sulfate IUPAC Name: 2-phenyl-2-[4-(4-phenylpiperazin-1-yl)butyl]indene-1,3-dione sulfate Traditional Name: 2-phenyl-2-[4-(4-phenylpiperazino)butyl]indane-1,3-quinone sulfate Formula: C29H30N2O6S-2 MolecularWeight: 534.6233

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C29H30N2O2.H2O4S/c32-27-25-15-7-8-16-26(25)28(33)29(27,23-11-3-1-4-12-23)17-9-10-18-30-19-21-31(22-20-30)24-13-5-2-6-14-24;1-5(2,3)4/h1-8,11-16H,9-10,17-22H2;(H2,1,2,3,4)/p-2