3,5-dimethoxy-4-phenylmethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3,5-dimethoxy-4-phenylmethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-benzyloxy-3,5-dimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3,5-dimethoxy-4-phenylmethoxy-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3,5-dimethoxy-4-phenylmethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-benzoxy-3,5-dimethoxy-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C28H33N2O4+ MolecularWeight: 461.57262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C28H32N2O4/c1-32-25-16-24(17-26(33-2)27(25)34-20-21-10-4-3-5-11-21)28(31)29-18-22-12-6-7-13-23(22)19-30-14-8-9-15-30/h3-7,10-13,16-17H,8-9,14-15,18-20H2,1-2H3,(H,29,31)/p+1