[1-(hydroxymethyl)pyrrolidin-1-ium-1-yl]-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methanone

Systemtic Name: [1-(hydroxymethyl)pyrrolidin-1-ium-1-yl]-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methanone Openeye Name: (4-benzyloxy-5-methoxy-2-nitro-phenyl)-[1-(hydroxymethyl)pyrrolidin-1-ium-1-yl]methanone CAS Name: [1-(hydroxymethyl)-1-pyrrolidin-1-iumyl]-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methanone IUPAC Name: [1-(hydroxymethyl)pyrrolidin-1-ium-1-yl]-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methanone Traditional Name: (4-benzoxy-5-methoxy-2-nitro-phenyl)-(1-methylolpyrrolidin-1-ium-1-yl)methanone Formula: C20H23N2O6+ MolecularWeight: 387.40642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[N+]2(CCCC2)CO)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[N+]2(CCCC2)CO)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C20H23N2O6/c1-27-18-11-16(20(24)22(14-23)9-5-6-10-22)17(21(25)26)12-19(18)28-13-15-7-3-2-4-8-15/h2-4,7-8,11-12,23H,5-6,9-10,13-14H2,1H3/q+1