methanesulfonic acid; 6-methoxy-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: methanesulfonic acid; 6-methoxy-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline Openeye Name: methanesulfonic acid; 6-methoxy-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline CAS Name: methanesulfonic acid; 6-methoxy-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: methanesulfonic acid; 6-methoxy-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline Traditional Name: mesylic acid; 6-methoxy-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)CCCCC3=CC=CC=C3)C=C1.CS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(CN(CC2)CCCCC3=CC=CC=C3)C=C1.CS(=O)(=O)O

InChI

InChI=1S/C20H25NO.CH4O3S/c1-22-20-11-10-19-16-21(14-12-18(19)15-20)13-6-5-9-17-7-3-2-4-8-17;1-5(2,3)4/h2-4,7-8,10-11,15H,5-6,9,12-14,16H2,1H3;1H3,(H,2,3,4)