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

Systemtic Name: N-(2-methoxyethyl)-2-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyethyl)-2-[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C17H25N4O5+ MolecularWeight: 365.4042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5/c1-13-11-14(3-4-15(13)21(24)25)17(23)20-8-6-19(7-9-20)12-16(22)18-5-10-26-2/h3-4,11H,5-10,12H2,1-2H3,(H,18,22)/p+1