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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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