[(3R)-1-(phenylsulfonyl)piperidin-3-yl]-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [(3R)-1-(phenylsulfonyl)piperidin-3-yl]-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [(3R)-1-(benzenesulfonyl)-3-piperidyl]-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: [(3R)-1-(benzenesulfonyl)-3-piperidinyl]-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [(3R)-1-(benzenesulfonyl)piperidin-3-yl]-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [(3R)-1-besyl-3-piperidyl]-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C23H30N4O3S/c28-23(26-17-15-25(16-18-26)14-11-21-8-4-5-12-24-21)20-7-6-13-27(19-20)31(29,30)22-9-2-1-3-10-22/h1-5,8-10,12,20H,6-7,11,13-19H2/p+1/t20-/m1/s1