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

Systemtic Name: 1-(diphenylmethyl)-4-methyl-pyrrolidin-3-ol; 4-methylbenzenesulfonic acid Openeye Name: 1-benzhydryl-4-methyl-pyrrolidin-3-ol; 4-methylbenzenesulfonic acid CAS Name: 1-(diphenylmethyl)-4-methyl-3-pyrrolidinol; 4-methylbenzenesulfonic acid IUPAC Name: 1-benzhydryl-4-methylpyrrolidin-3-ol; 4-methylbenzenesulfonic acid Traditional Name: 1-benzhydryl-4-methyl-pyrrolidin-3-ol; tosylic acid Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1O)C(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1CN(CC1O)C(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H21NO.C7H8O3S/c1-14-12-19(13-17(14)20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,14,17-18,20H,12-13H2,1H3;2-5H,1H3,(H,8,9,10)