4-nitro-N-[3-oxidanylidene-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]propyl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]propyl]benzamide Openeye Name: 4-nitro-N-[3-oxo-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]propyl]benzamide CAS Name: 4-nitro-N-[3-oxo-3-[[1-(1-piperidin-1-iumyl)cyclohexyl]methylamino]propyl]benzamide IUPAC Name: 4-nitro-N-[3-oxo-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]propyl]benzamide Traditional Name: N-[3-keto-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]propyl]-4-nitro-benzamide Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C22H32N4O4/c27-20(11-14-23-21(28)18-7-9-19(10-8-18)26(29)30)24-17-22(12-3-1-4-13-22)25-15-5-2-6-16-25/h7-10H,1-6,11-17H2,(H,23,28)(H,24,27)/p+1