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

Systemtic Name: methanesulfonate; N-[3-(4-methylthiomorpholin-4-ium-2-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide Openeye Name: 2-(3-isopropylphenyl)-N-[3-(4-methylthiomorpholin-4-ium-2-yl)propyl]propanamide; methanesulfonate CAS Name: methanesulfonate; N-[3-(4-methyl-2-thiomorpholin-4-iumyl)propyl]-2-(3-propan-2-ylphenyl)propanamide IUPAC Name: methanesulfonate; N-[3-(4-methylthiomorpholin-4-ium-2-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide Traditional Name: 2-m-cumenyl-N-[3-(4-methylthiomorpholin-4-ium-2-yl)propyl]propionamide mesylate Formula: C21H36N2O4S2 MolecularWeight: 444.65154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)C(C)C(=O)NCCCC2C[NH+](CCS2)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC(=C1)C(C)C(=O)NCCCC2C[NH+](CCS2)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H32N2OS.CH4O3S/c1-15(2)17-7-5-8-18(13-17)16(3)20(23)21-10-6-9-19-14-22(4)11-12-24-19;1-5(2,3)4/h5,7-8,13,15-16,19H,6,9-12,14H2,1-4H3,(H,21,23);1H3,(H,2,3,4)