4,5-dimethoxy-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H26N3O5+ MolecularWeight: 400.44824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-28-19-11-17(18(24(26)27)12-20(19)29-2)21(25)22-13-15-7-3-4-8-16(15)14-23-9-5-6-10-23/h3-4,7-8,11-12H,5-6,9-10,13-14H2,1-2H3,(H,22,25)/p+1