2-[1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethylidene]indene-1,3-dione

Systemtic Name: 2-[1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethylidene]indene-1,3-dione Openeye Name: 2-[1-(4-benzhydrylpiperazin-4-ium-1-yl)ethylidene]indane-1,3-dione CAS Name: 2-[1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethylidene]indene-1,3-dione IUPAC Name: 2-[1-(4-benzhydrylpiperazin-4-ium-1-yl)ethylidene]indene-1,3-dione Traditional Name: 2-[1-(4-benzhydrylpiperazin-4-ium-1-yl)ethylidene]indane-1,3-quinone Formula: C28H27N2O2+ MolecularWeight: 423.52618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N2O2/c1-20(25-27(31)23-14-8-9-15-24(23)28(25)32)29-16-18-30(19-17-29)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,26H,16-19H2,1H3/p+1