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

Systemtic Name: (2R)-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-N-methyl-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-16(20(25)21(2)17-6-4-3-5-7-17)22-12-14-23(15-13-22)18-8-10-19(11-9-18)24(26)27/h3-11,16H,12-15H2,1-2H3/p+1/t16-/m1/s1