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

Systemtic Name: 2,4,5-trimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2,4,5-trimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2,4,5-trimethoxy-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2,4,5-trimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2,4,5-trimethoxy-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-26-19-13-21(28-3)20(27-2)12-18(19)22(25)23-14-16-8-4-5-9-17(16)15-24-10-6-7-11-24/h4-5,8-9,12-13H,6-7,10-11,14-15H2,1-3H3,(H,23,25)/p+1