1-[2-[2-[dimethyl(sulfinato)azaniumyl]phenyl]ethanoyl]-4-methoxycarbonyl-2-(pyrrolidin-1-ylmethyl)piperazine hydrochloride

Systemtic Name: 1-[2-[2-[dimethyl(sulfinato)azaniumyl]phenyl]ethanoyl]-4-methoxycarbonyl-2-(pyrrolidin-1-ylmethyl)piperazine hydrochloride Openeye Name: 1-[2-[2-[dimethyl(sulfinato)ammonio]phenyl]acetyl]-4-methoxycarbonyl-2-(pyrrolidin-1-ylmethyl)piperazine hydrochloride CAS Name: 1-[2-[2-[dimethyl(sulfinato)ammonio]phenyl]-1-oxoethyl]-4-methoxycarbonyl-2-(1-pyrrolidinylmethyl)piperazine hydrochloride IUPAC Name: 1-[2-[2-[dimethyl(sulfinato)azaniumyl]phenyl]acetyl]-4-methoxycarbonyl-2-(pyrrolidin-1-ylmethyl)piperazine hydrochloride Traditional Name: 4-carbomethoxy-1-[2-[2-[dimethyl(sulfinato)ammonio]phenyl]acetyl]-2-(pyrrolidinomethyl)piperazine hydrochloride Formula: C21H33ClN4O5S MolecularWeight: 489.02852

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC=CC=C1CC(=O)N2CCN(CC2CN3CCCC3)C(=O)OC)S(=O)[O-].Cl

Isomeric SMILES

C[N+](C)(C1=CC=CC=C1CC(=O)N2CCN(CC2CN3CCCC3)C(=O)OC)S(=O)[O-].Cl

InChI

InChI=1S/C21H32N4O5S.ClH/c1-25(2,31(28)29)19-9-5-4-8-17(19)14-20(26)24-13-12-23(21(27)30-3)16-18(24)15-22-10-6-7-11-22;/h4-5,8-9,18H,6-7,10-16H2,1-3H3;1H