1-(2-methylpropyl)-4-[(3R)-1-(phenylmethyl)sulfonylpyrrolidin-3-yl]piperidin-1-ium

Systemtic Name: 1-(2-methylpropyl)-4-[(3R)-1-(phenylmethyl)sulfonylpyrrolidin-3-yl]piperidin-1-ium Openeye Name: 4-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]-1-isobutyl-piperidin-1-ium CAS Name: 1-(2-methylpropyl)-4-[(3R)-1-(phenylmethyl)sulfonyl-3-pyrrolidinyl]piperidin-1-ium IUPAC Name: 4-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]-1-(2-methylpropyl)piperidin-1-ium Traditional Name: 4-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]-1-isobutyl-piperidin-1-ium Formula: C20H33N2O2S+ MolecularWeight: 365.55322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)C2CCN(C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)[C@H]2CCN(C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H32N2O2S/c1-17(2)14-21-11-8-19(9-12-21)20-10-13-22(15-20)25(23,24)16-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3/p+1/t20-/m0/s1