2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-methyl-3-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-16-18(8-5-9-19(16)25(28)29)21(27)24-12-10-23(11-13-24)15-20(26)22-14-17-6-3-2-4-7-17/h2-9H,10-15H2,1H3,(H,22,26)/p+1