3-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]hexyl methanesulfonate

Systemtic Name: 3-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]hexyl methanesulfonate Openeye Name: 3-[[4-[[methyl(2-pyridylmethyl)amino]methyl]phenyl]methyl]hexyl methanesulfonate CAS Name: methanesulfonic acid 3-[[4-[[methyl(2-pyridinylmethyl)amino]methyl]phenyl]methyl]hexyl ester IUPAC Name: 3-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]hexyl methanesulfonate Traditional Name: methanesulfonic acid 3-[4-[[methyl(2-pyridylmethyl)amino]methyl]benzyl]hexyl ester Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOS(=O)(=O)C)CC1=CC=C(C=C1)CN(C)CC2=CC=CC=N2

Isomeric SMILES

CCCC(CCOS(=O)(=O)C)CC1=CC=C(C=C1)CN(C)CC2=CC=CC=N2

InChI

InChI=1S/C22H32N2O3S/c1-4-7-19(13-15-27-28(3,25)26)16-20-9-11-21(12-10-20)17-24(2)18-22-8-5-6-14-23-22/h5-6,8-12,14,19H,4,7,13,15-18H2,1-3H3