N-(4,5-dimethyl-2-nitro-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C20H29N4O4+ MolecularWeight: 389.46866

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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)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C20H28N4O4/c1-14-11-17(18(24(27)28)12-15(14)2)21-19(25)13-22-9-5-16(6-10-22)20(26)23-7-3-4-8-23/h11-12,16H,3-10,13H2,1-2H3,(H,21,25)/p+1