1-adamantylmethyl-methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]azanium

Systemtic Name: 1-adamantylmethyl-methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]azanium Openeye Name: 1-adamantylmethyl-[(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-methyl-ammonium CAS Name: 1-adamantylmethyl-[(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-methylammonium IUPAC Name: 1-adamantylmethyl-[(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-methylazanium Traditional Name: 1-adamantylmethyl-[(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-methyl-ammonium Formula: C22H33N2O3S+ MolecularWeight: 405.57402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC12CC3CC(C1)CC(C3)C2)C4CN(CC4O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C[NH+](CC12CC3CC(C1)CC(C3)C2)[C@H]4CN(C[C@@H]4O)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H32N2O3S/c1-23(15-22-10-16-7-17(11-22)9-18(8-16)12-22)20-13-24(14-21(20)25)28(26,27)19-5-3-2-4-6-19/h2-6,16-18,20-21,25H,7-15H2,1H3/p+1/t16?,17?,18?,20-,21-,22?/m0/s1