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

Systemtic Name: [(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3R)-1-benzylpyrrolidin-1-ium-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(3R)-1-benzylpyrrolidin-1-ium-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R)-1-benzylpyrrolidin-1-ium-3-yl] ester Formula: C18H22NO3S+ MolecularWeight: 332.43718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21NO3S/c1-15-7-9-18(10-8-15)23(20,21)22-17-11-12-19(14-17)13-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3/p+1/t17-/m1/s1