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

Systemtic Name: 2,3,4-trimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2,3,4-trimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2,3,4-trimethoxy-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2,3,4-trimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2,3,4-trimethoxy-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H29N2O4+ MolecularWeight: 385.47666

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)OC)OC

Isomeric SMILES

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

InChI

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