10,10-bis(oxidanylidene)-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-thioxanthen-9-one

Systemtic Name: 10,10-bis(oxidanylidene)-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-thioxanthen-9-one Openeye Name: 10,10-dioxo-3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]thioxanthen-9-one CAS Name: 10,10-dioxo-3-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-9-thioxanthenone IUPAC Name: 10,10-dioxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]thioxanthen-9-one Traditional Name: 10,10-diketo-3-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]thioxanthen-9-one Formula: C25H28N3O5S+ MolecularWeight: 482.57192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H27N3O5S/c29-23(27-10-4-1-5-11-27)17-26-12-14-28(15-13-26)25(31)18-8-9-20-22(16-18)34(32,33)21-7-3-2-6-19(21)24(20)30/h2-3,6-9,16H,1,4-5,10-15,17H2/p+1