N-(2-methoxy-5-nitro-phenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-(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:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H21N3O4/c1-26-18-7-6-16(22(24)25)12-17(18)20-19(23)9-11-21-10-8-14-4-2-3-5-15(14)13-21/h2-7,12H,8-11,13H2,1H3,(H,20,23)/p+1