(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: (2R)-2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C20H24ClN4O4+ MolecularWeight: 419.88196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+]2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+]2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4O4/c1-14(20(26)22-17-8-7-15(25(27)28)13-19(17)29-2)23-9-11-24(12-10-23)18-6-4-3-5-16(18)21/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)/p+1/t14-/m1/s1