[1-[cyclohexyl(oxidanyl)methyl]piperidin-1-ium-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [1-[cyclohexyl(oxidanyl)methyl]piperidin-1-ium-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone Openeye Name: [1-[cyclohexyl(hydroxy)methyl]piperidin-1-ium-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone CAS Name: [1-[cyclohexyl(hydroxy)methyl]-1-piperidin-1-iumyl]-(4,5-dimethoxy-2-nitrophenyl)methanone IUPAC Name: [1-[cyclohexyl(hydroxy)methyl]piperidin-1-ium-1-yl]-(4,5-dimethoxy-2-nitrophenyl)methanone Traditional Name: [1-[cyclohexyl(hydroxy)methyl]piperidin-1-ium-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone Formula: C21H31N2O6+ MolecularWeight: 407.48064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[N+]2(CCCCC2)C(C3CCCCC3)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[N+]2(CCCCC2)C(C3CCCCC3)O)[N+](=O)[O-])OC

InChI

InChI=1S/C21H31N2O6/c1-28-18-13-16(17(22(26)27)14-19(18)29-2)21(25)23(11-7-4-8-12-23)20(24)15-9-5-3-6-10-15/h13-15,20,24H,3-12H2,1-2H3/q+1