2-(4-methoxy-2-nitro-phenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(4-methoxy-2-nitro-phenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-methoxy-2-nitro-phenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(4-methoxy-2-nitrophenoxy)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-methoxy-2-nitrophenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(4-methoxy-2-nitro-phenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-27-17-8-9-19(18(12-17)23(25)26)28-14-20(24)21-16-6-4-15(5-7-16)13-22-10-2-3-11-22/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,21,24)/p+1