N-tert-butyl-2-[4-(3-nitro-4-piperidin-1-yl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(3-nitro-4-piperidin-1-yl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[3-nitro-4-(1-piperidyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-nitro-4-piperidino-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H34N5O4+ MolecularWeight: 432.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H33N5O4/c1-22(2,3)23-20(28)16-24-11-13-26(14-12-24)21(29)17-7-8-18(19(15-17)27(30)31)25-9-5-4-6-10-25/h7-8,15H,4-6,9-14,16H2,1-3H3,(H,23,28)/p+1