2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H32N4O4/c1-16-7-8-19(26(29)30)21(17(16)2)23-20(27)15-24-13-9-18(10-14-24)22(28)25-11-5-3-4-6-12-25/h7-8,18H,3-6,9-15H2,1-2H3,(H,23,27)/p+1