tert-butyl 4-(aminomethyl)piperidine-1-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl 4-(aminomethyl)piperidine-1-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl 4-(aminomethyl)piperidine-1-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 4-(aminomethyl)-1-piperidinecarboxylic acid tert-butyl ester; 4-methylbenzenesulfonic acid IUPAC Name: tert-butyl 4-(aminomethyl)piperidine-1-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 4-(aminomethyl)piperidine-1-carboxylic acid tert-butyl ester; tosylic acid Formula: C18H30N2O5S MolecularWeight: 386.5062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)N1CCC(CC1)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)N1CCC(CC1)CN

InChI

InChI=1S/C11H22N2O2.C7H8O3S/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h9H,4-8,12H2,1-3H3;2-5H,1H3,(H,8,9,10)