[5,6-dimethoxy-3-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine hydrochloride

Systemtic Name: [5,6-dimethoxy-3-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine hydrochloride Openeye Name: [5,6-dimethoxy-3-(1-methylsulfonyl-4-piperidyl)isochroman-1-yl]methanamine hydrochloride CAS Name: [5,6-dimethoxy-3-(1-methylsulfonyl-4-piperidinyl)-3,4-dihydro-1H-2-benzopyran-1-yl]methanamine hydrochloride IUPAC Name: [5,6-dimethoxy-3-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine hydrochloride Traditional Name: [3-(1-mesyl-4-piperidyl)-5,6-dimethoxy-isochroman-1-yl]methylamine hydrochloride Formula: C18H29ClN2O5S MolecularWeight: 420.95126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)S(=O)(=O)C)CN)OC.Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)S(=O)(=O)C)CN)OC.Cl

InChI

InChI=1S/C18H28N2O5S.ClH/c1-23-15-5-4-13-14(18(15)24-2)10-16(25-17(13)11-19)12-6-8-20(9-7-12)26(3,21)22;/h4-5,12,16-17H,6-11,19H2,1-3H3;1H