(2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H24ClN4O4+ MolecularWeight: 419.88196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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