N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethyl-6-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=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCC3)C

InChI

InChI=1S/C20H28N4O4/c1-14-5-6-17(24(27)28)19(15(14)2)21-18(25)13-22-11-7-16(8-12-22)20(26)23-9-3-4-10-23/h5-6,16H,3-4,7-13H2,1-2H3,(H,21,25)/p+1