(2R)-N-(2-methoxy-4-nitro-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide IUPAC Name: (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propionamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+]2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+]2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-15(23-12-10-17(11-13-23)16-6-4-3-5-7-16)21(25)22-19-9-8-18(24(26)27)14-20(19)28-2/h3-10,14-15H,11-13H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1