1-(4-methylsulfonylpiperazin-1-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(4-methylsulfonyl-1-piperazinyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-methylsulfonylpiperazin-1-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(4-mesylpiperazino)-4-(4-pyridin-1-ium-2-ylpiperazino)butane-1,4-dione Formula: C18H28N5O4S+ MolecularWeight: 410.51102

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H27N5O4S/c1-28(26,27)23-14-12-22(13-15-23)18(25)6-5-17(24)21-10-8-20(9-11-21)16-4-2-3-7-19-16/h2-4,7H,5-6,8-15H2,1H3/p+1