methanesulfonic acid; [2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl] 2,2-dimethylpropanoate

Systemtic Name: methanesulfonic acid; [2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl] 2,2-dimethylpropanoate Openeye Name: methanesulfonic acid; [2-[3-(2-thienyl)propyl]-3,4-dihydro-1H-isoquinolin-6-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl] ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; [2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[3-(2-thienyl)propyl]-3,4-dihydro-1H-isoquinolin-6-yl] ester; mesylic acid Formula: C22H31NO5S2 MolecularWeight: 453.61524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC2=C(CN(CC2)CCCC3=CC=CS3)C=C1.CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC2=C(CN(CC2)CCCC3=CC=CS3)C=C1.CS(=O)(=O)O

InChI

InChI=1S/C21H27NO2S.CH4O3S/c1-21(2,3)20(23)24-18-9-8-17-15-22(12-10-16(17)14-18)11-4-6-19-7-5-13-25-19;1-5(2,3)4/h5,7-9,13-14H,4,6,10-12,15H2,1-3H3;1H3,(H,2,3,4)