(2R)-N-(2-methoxy-5-nitro-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2R)-N-(2-methoxy-5-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2R)-N-(2-methoxy-5-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-(5,6,7,8-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=CC(=C1)[N+](=O)[O-])OC)[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C19H21N3O4/c1-13(21-10-9-14-5-3-4-6-15(14)12-21)19(23)20-17-11-16(22(24)25)7-8-18(17)26-2/h7-13H,3-6H2,1-2H3/p+1/t13-/m1/s1