(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propionamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-15(20(25)21-18-8-3-4-9-19(18)24(26)27)22-10-12-23(13-11-22)16-6-5-7-17(14-16)28-2/h3-9,14-15H,10-13H2,1-2H3,(H,21,25)/p+1/t15-/m1/s1