1-[(1S)-7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(1S)-7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)C[NH+]3CCCCC3)O)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CCN1C(=O)C[NH+]3CCCCC3)O)OC

InChI

InChI=1S/C18H26N2O3/c1-13-15-11-17(23-2)16(21)10-14(15)6-9-20(13)18(22)12-19-7-4-3-5-8-19/h10-11,13,21H,3-9,12H2,1-2H3/p+1/t13-/m0/s1