4-methoxy-3-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-27-19-9-8-15(12-18(19)23(25)26)20(24)21-13-16-6-2-3-7-17(16)14-22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,21,24)/p+1