1-[4-(phenylsulfonyl)piperazin-1-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(4-besylpiperazino)-4-(4-pyridin-1-ium-2-ylpiperazino)butane-1,4-dione Formula: C23H30N5O4S+ MolecularWeight: 472.5804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N5O4S/c29-22(26-14-12-25(13-15-26)21-8-4-5-11-24-21)9-10-23(30)27-16-18-28(19-17-27)33(31,32)20-6-2-1-3-7-20/h1-8,11H,9-10,12-19H2/p+1