(1S)-6,7-dimethoxy-2-methyl-1-(nitromethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-dimethoxy-2-methyl-1-(nitromethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-dimethoxy-2-methyl-1-(nitromethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-dimethoxy-2-methyl-1-(nitromethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-dimethoxy-2-methyl-1-(nitromethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-dimethoxy-2-methyl-1-(nitromethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C13H19N2O4+ MolecularWeight: 267.30096

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC(=C(C=C2C1C[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-14-5-4-9-6-12(18-2)13(19-3)7-10(9)11(14)8-15(16)17/h6-7,11H,4-5,8H2,1-3H3/p+1/t11-/m1/s1