2-[4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[1-(4-methoxyphenyl)sulfonylisonipecotoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H35N4O5S+ MolecularWeight: 479.6128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H34N4O5S/c1-32-20-4-6-21(7-5-20)33(30,31)27-12-8-19(9-13-27)23(29)26-16-14-24(15-17-26)18-22(28)25-10-2-3-11-25/h4-7,19H,2-3,8-18H2,1H3/p+1