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

Systemtic Name: (1S,2S)-7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Openeye Name: (1S,2S)-7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol CAS Name: (1S,2S)-7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol IUPAC Name: (1S,2S)-7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Traditional Name: (1S,2S)-7-methoxy-2-methyl-2-(4-nitrobenzyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Formula: C24H25N2O4+ MolecularWeight: 405.4663

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1C3=CC=CC=C3)OC)O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[N@+]1(CCC2=CC(=C(C=C2[C@@H]1C3=CC=CC=C3)OC)O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N2O4/c1-26(16-17-8-10-20(11-9-17)25(28)29)13-12-19-14-22(27)23(30-2)15-21(19)24(26)18-6-4-3-5-7-18/h3-11,14-15,24H,12-13,16H2,1-2H3/p+1/t24-,26-/m0/s1