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

Systemtic Name: N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methoxypropyl)-2-[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H27N4O5+ MolecularWeight: 379.43078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5/c1-14-12-15(4-5-16(14)22(25)26)18(24)21-9-7-20(8-10-21)13-17(23)19-6-3-11-27-2/h4-5,12H,3,6-11,13H2,1-2H3,(H,19,23)/p+1