tert-butyl N-[1-[(6-azanylpyridin-2-yl)methyl]piperidin-4-yl]carbamate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl N-[1-[(6-azanylpyridin-2-yl)methyl]piperidin-4-yl]carbamate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl N-[1-[(6-amino-2-pyridyl)methyl]-4-piperidyl]carbamate; 4-methylbenzenesulfonic acid CAS Name: N-[1-[(6-amino-2-pyridinyl)methyl]-4-piperidinyl]carbamic acid tert-butyl ester; 4-methylbenzenesulfonic acid IUPAC Name: tert-butyl N-[1-[(6-aminopyridin-2-yl)methyl]piperidin-4-yl]carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-[1-[(6-amino-2-pyridyl)methyl]-4-piperidyl]carbamic acid tert-butyl ester; tosylic acid Formula: C30H42N4O8S2 MolecularWeight: 650.80648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCN(CC1)CC2=NC(=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCN(CC1)CC2=NC(=CC=C2)N

InChI

InChI=1S/C16H26N4O2.2C7H8O3S/c1-16(2,3)22-15(21)19-12-7-9-20(10-8-12)11-13-5-4-6-14(17)18-13;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-6,12H,7-11H2,1-3H3,(H2,17,18)(H,19,21);2*2-5H,1H3,(H,8,9,10)