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

Systemtic Name: (1R,2S)-7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-1-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Openeye Name: (1R,2S)-1-benzyl-7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6-ol CAS Name: (1R,2S)-7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-1-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-2-ium-6-ol IUPAC Name: (1R,2S)-1-benzyl-7-methoxy-2-methyl-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Traditional Name: (1R,2S)-1-benzyl-7-methoxy-2-methyl-2-(4-nitrobenzyl)-3,4-dihydro-1H-isoquinolin-2-ium-6-ol Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CC3=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]1CC3=CC=CC=C3)OC)O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O4/c1-27(17-19-8-10-21(11-9-19)26(29)30)13-12-20-15-24(28)25(31-2)16-22(20)23(27)14-18-6-4-3-5-7-18/h3-11,15-16,23H,12-14,17H2,1-2H3/p+1/t23-,27+/m1/s1