[2-(4-azanylbutyl)-3,4-dihydro-1H-isoquinolin-7-yl] methanesulfonate

Systemtic Name: [2-(4-azanylbutyl)-3,4-dihydro-1H-isoquinolin-7-yl] methanesulfonate Openeye Name: [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(CCN(C2)CCCCN)C=C1

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(CCN(C2)CCCCN)C=C1

InChI

InChI=1S/C14H22N2O3S/c1-20(17,18)19-14-5-4-12-6-9-16(8-3-2-7-15)11-13(12)10-14/h4-5,10H,2-3,6-9,11,15H2,1H3