2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H32N4O4/c1-16-13-19(20(26(29)30)14-17(16)2)23-21(27)15-24-11-7-18(8-12-24)22(28)25-9-5-3-4-6-10-25/h13-14,18H,3-12,15H2,1-2H3,(H,23,27)/p+1