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

Systemtic Name: (2R)-N-(2-chloranyl-5-nitro-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-[4-(2-methoxyphenyl)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)[N+](=O)[O-])Cl)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

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