1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-4-(4-tosylpiperazino)butane-1,4-dione Formula: C25H34N5O4S+ MolecularWeight: 500.63356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C25H33N5O4S/c1-21-2-4-23(5-3-21)35(33,34)30-18-16-29(17-19-30)25(32)7-6-24(31)28-14-12-27(13-15-28)20-22-8-10-26-11-9-22/h2-5,8-11H,6-7,12-20H2,1H3/p+1