1-[4-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazino]phenyl]ethanone Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H26N4O3S/c1-17(26)18-4-6-19(7-5-18)23-12-14-24(15-13-23)21-9-8-20(16-22-21)29(27,28)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3/p+1