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

Systemtic Name: (1R,2S)-7-methoxy-1,2-dimethyl-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Openeye Name: (1R,2S)-7-methoxy-1,2-dimethyl-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6-ol CAS Name: (1R,2S)-7-methoxy-1,2-dimethyl-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6-ol IUPAC Name: (1R,2S)-7-methoxy-1,2-dimethyl-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Traditional Name: (1R,2S)-7-methoxy-1,2-dimethyl-2-(4-nitrobenzyl)-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Formula: C19H23N2O4+ MolecularWeight: 343.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[N+]1(C)CC3=CC=C(C=C3)[N+](=O)[O-])O)OC

Isomeric SMILES

C[C@@H]1C2=CC(=C(C=C2CC[N@@+]1(C)CC3=CC=C(C=C3)[N+](=O)[O-])O)OC

InChI

InChI=1S/C19H22N2O4/c1-13-17-11-19(25-3)18(22)10-15(17)8-9-21(13,2)12-14-4-6-16(7-5-14)20(23)24/h4-7,10-11,13H,8-9,12H2,1-3H3/p+1/t13-,21+/m1/s1