[1-oxidanyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-oxidanyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] 4-methylbenzenesulfonate Openeye Name: (1-benzyl-1-hydroxy-pyrrolidin-1-ium-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-hydroxy-1-(phenylmethyl)-3-pyrrolidin-1-iumyl] ester IUPAC Name: (1-benzyl-1-hydroxypyrrolidin-1-ium-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzyl-1-hydroxy-pyrrolidin-1-ium-3-yl) ester Formula: C18H22NO4S+ MolecularWeight: 348.43658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC[N+](C2)(CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC[N+](C2)(CC3=CC=CC=C3)O

InChI

InChI=1S/C18H22NO4S/c1-15-7-9-18(10-8-15)24(21,22)23-17-11-12-19(20,14-17)13-16-5-3-2-4-6-16/h2-10,17,20H,11-14H2,1H3/q+1