methanesulfonate; (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide

Systemtic Name: methanesulfonate; (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide Openeye Name: (2R)-2-(3-isopropylphenyl)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide; methanesulfonate CAS Name: methanesulfonate; (2R)-N-[3-(4-methyl-4-morpholin-4-iumyl)propyl]-2-(3-propan-2-ylphenyl)propanamide IUPAC Name: methanesulfonate; (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide Traditional Name: (2R)-2-m-cumenyl-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propionamide mesylate Formula: C21H36N2O5S MolecularWeight: 428.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)C(C)C(=O)NCCC[N+]2(CCOCC2)C.CS(=O)(=O)[O-]

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)C(C)C)C(=O)NCCC[N+]2(CCOCC2)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H32N2O2.CH4O3S/c1-16(2)18-7-5-8-19(15-18)17(3)20(23)21-9-6-10-22(4)11-13-24-14-12-22;1-5(2,3)4/h5,7-8,15-17H,6,9-14H2,1-4H3;1H3,(H,2,3,4)/t17-;/m1./s1