4-methylbenzenesulfonic acid; 4-methyl-1-(phenylmethyl)pyrrolidin-3-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 4-methyl-1-(phenylmethyl)pyrrolidin-3-ol Openeye Name: 1-benzyl-4-methyl-pyrrolidin-3-ol; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 4-methyl-1-(phenylmethyl)-3-pyrrolidinol IUPAC Name: 1-benzyl-4-methylpyrrolidin-3-ol; 4-methylbenzenesulfonic acid Traditional Name: 1-benzyl-4-methyl-pyrrolidin-3-ol; tosylic acid Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1O)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1CN(CC1O)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H17NO.C7H8O3S/c1-10-7-13(9-12(10)14)8-11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,10,12,14H,7-9H2,1H3;2-5H,1H3,(H,8,9,10)