(1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H21N2O5+ MolecularWeight: 345.36974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)COC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)COC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O5/c1-23-17-9-12-7-8-19-16(15(12)10-18(17)24-2)11-25-14-5-3-13(4-6-14)20(21)22/h3-6,9-10,16,19H,7-8,11H2,1-2H3/p+1/t16-/m0/s1