(1R)-7-methoxy-2-methylsulfonyl-1-piperidin-1-ium-4-yl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (1R)-7-methoxy-2-methylsulfonyl-1-piperidin-1-ium-4-yl-3,4-dihydro-1H-isoquinoline Openeye Name: (1R)-7-methoxy-2-methylsulfonyl-1-piperidin-1-ium-4-yl-3,4-dihydro-1H-isoquinoline CAS Name: (1R)-7-methoxy-2-methylsulfonyl-1-(4-piperidin-1-iumyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: (1R)-7-methoxy-2-methylsulfonyl-1-piperidin-1-ium-4-yl-3,4-dihydro-1H-isoquinoline Traditional Name: (1R)-2-mesyl-7-methoxy-1-piperidin-1-ium-4-yl-3,4-dihydro-1H-isoquinoline Formula: C16H25N2O3S+ MolecularWeight: 325.4463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCN(C2C3CC[NH2+]CC3)S(=O)(=O)C)C=C1

Isomeric SMILES

COC1=CC2=C(CCN([C@@H]2C3CC[NH2+]CC3)S(=O)(=O)C)C=C1

InChI

InChI=1S/C16H24N2O3S/c1-21-14-4-3-12-7-10-18(22(2,19)20)16(15(12)11-14)13-5-8-17-9-6-13/h3-4,11,13,16-17H,5-10H2,1-2H3/p+1/t16-/m1/s1