(1S)-6-ethoxy-7-methoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6-ethoxy-7-methoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6-ethoxy-7-methoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6-ethoxy-7-methoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6-ethoxy-7-methoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6-ethoxy-7-methoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O4/c1-3-24-17-10-12-7-8-19-18(15(12)11-16(17)23-2)13-5-4-6-14(9-13)20(21)22/h4-6,9-11,18-19H,3,7-8H2,1-2H3/p+1/t18-/m0/s1