(2R)-N-(4-methoxy-2-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2R)-N-(4-methoxy-2-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2R)-N-(4-methoxy-2-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2R)-N-(4-methoxy-2-nitrophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2R)-N-(4-methoxy-2-nitrophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2R)-N-(4-methoxy-2-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H21N3O4/c1-13(21-10-9-14-5-3-4-6-15(14)12-21)19(23)20-17-8-7-16(26-2)11-18(17)22(24)25/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,23)/p+1/t13-/m1/s1