4-[(4S)-6-methoxy-4,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]butan-2-one

Systemtic Name: 4-[(4S)-6-methoxy-4,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]butan-2-one Openeye Name: 4-[(4S)-4,7-dihydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]butan-2-one CAS Name: 4-[(4S)-4,7-dihydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-2-butanone IUPAC Name: 4-[(4S)-4,7-dihydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]butan-2-one Traditional Name: 4-[(4S)-4,7-dihydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]butan-2-one Formula: C14H20NO4+ MolecularWeight: 266.3129

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC[NH+]1CC(C2=CC(=C(C=C2C1)O)OC)O

Isomeric SMILES

CC(=O)CC[NH+]1C[C@H](C2=CC(=C(C=C2C1)O)OC)O

InChI

InChI=1S/C14H19NO4/c1-9(16)3-4-15-7-10-5-12(17)14(19-2)6-11(10)13(18)8-15/h5-6,13,17-18H,3-4,7-8H2,1-2H3/p+1/t13-/m1/s1