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

Systemtic Name: 1-(diphenylmethyl)-3-methyl-piperidin-4-ol; 4-methylbenzenesulfonic acid Openeye Name: 1-benzhydryl-3-methyl-piperidin-4-ol; 4-methylbenzenesulfonic acid CAS Name: 1-(diphenylmethyl)-3-methyl-4-piperidinol; 4-methylbenzenesulfonic acid IUPAC Name: 1-benzhydryl-3-methylpiperidin-4-ol; 4-methylbenzenesulfonic acid Traditional Name: 1-benzhydryl-3-methyl-piperidin-4-ol; tosylic acid Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1O)C(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1CN(CCC1O)C(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H23NO.C7H8O3S/c1-15-14-20(13-12-18(15)21)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,15,18-19,21H,12-14H2,1H3;2-5H,1H3,(H,8,9,10)