1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol

Systemtic Name: 1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol Openeye Name: 1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol CAS Name: 1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol IUPAC Name: 1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol Traditional Name: 1-(4-hydroxybenzyl)-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC)[O-]

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC)[O-]

InChI

InChI=1S/C18H21NO4/c1-19(22)8-7-13-10-18(23-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3