1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)ethanone Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H34N4O4S/c1-21-8-10-22(11-9-21)34(31,32)29-13-5-12-26(14-19-29)20-25(30)28-17-15-27(16-18-28)23-6-3-4-7-24(23)33-2/h3-4,6-11H,5,12-20H2,1-2H3/p+1