3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C31H27N2O4S+ MolecularWeight: 523.62208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C31H26N2O4S/c34-30-25-13-7-8-14-27(25)38(36,37)28-21-24(15-16-26(28)30)31(35)33-19-17-32(18-20-33)29(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-16,21,29H,17-20H2/p+1