4-methylbenzenesulfonic acid; 2-[2-(1-methylpiperidin-2-yl)ethyl]aniline

Systemtic Name: 4-methylbenzenesulfonic acid; 2-[2-(1-methylpiperidin-2-yl)ethyl]aniline Openeye Name: 4-methylbenzenesulfonic acid; 2-[2-(1-methyl-2-piperidyl)ethyl]aniline CAS Name: 4-methylbenzenesulfonic acid; 2-[2-(1-methyl-2-piperidinyl)ethyl]aniline IUPAC Name: 4-methylbenzenesulfonic acid; 2-[2-(1-methylpiperidin-2-yl)ethyl]aniline Traditional Name: [2-[2-(1-methyl-2-piperidyl)ethyl]phenyl]amine; tosylic acid Formula: C21H30N2O3S MolecularWeight: 390.5395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCCCC1CCC2=CC=CC=C2N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCCCC1CCC2=CC=CC=C2N

InChI

InChI=1S/C14H22N2.C7H8O3S/c1-16-11-5-4-7-13(16)10-9-12-6-2-3-8-14(12)15;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,6,8,13H,4-5,7,9-11,15H2,1H3;2-5H,1H3,(H,8,9,10)