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

Systemtic Name: 7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Openeye Name: 7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6-ol CAS Name: 7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6-ol IUPAC Name: 7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Traditional Name: 7-methoxy-2-methyl-2-(4-nitrobenzyl)-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1)OC)O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1)OC)O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4/c1-20(11-13-3-5-16(6-4-13)19(22)23)8-7-14-9-17(21)18(24-2)10-15(14)12-20/h3-6,9-10H,7-8,11-12H2,1-2H3/p+1