[(3R)-2-(aminomethyl)-5-benzamido-4,6-dimethoxy-oxan-3-yl] methanesulfonate hydrochloride

Systemtic Name: [(3R)-2-(aminomethyl)-5-benzamido-4,6-dimethoxy-oxan-3-yl] methanesulfonate hydrochloride Openeye Name: [(3R)-2-(aminomethyl)-5-benzamido-4,6-dimethoxy-tetrahydropyran-3-yl] methanesulfonate hydrochloride CAS Name: methanesulfonic acid [(3R)-2-(aminomethyl)-5-benzamido-4,6-dimethoxy-3-oxanyl] ester hydrochloride IUPAC Name: [(3R)-2-(aminomethyl)-5-benzamido-4,6-dimethoxyoxan-3-yl] methanesulfonate hydrochloride Traditional Name: methanesulfonic acid [(3R)-2-(aminomethyl)-5-benzamido-4,6-dimethoxy-tetrahydropyran-3-yl] ester hydrochloride Formula: C16H25ClN2O7S MolecularWeight: 424.8969

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC(C1OS(=O)(=O)C)CN)OC)NC(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

COC1[C@@H](C(OC(C1NC(=O)C2=CC=CC=C2)OC)CN)OS(=O)(=O)C.Cl

InChI

InChI=1S/C16H24N2O7S.ClH/c1-22-14-12(18-15(19)10-7-5-4-6-8-10)16(23-2)24-11(9-17)13(14)25-26(3,20)21;/h4-8,11-14,16H,9,17H2,1-3H3,(H,18,19);1H/t11?,12?,13-,14?,16?;/m1./s1