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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-26-19-11-10-18(20(27-2)21(19)28-3)22(25)23-14-16-6-8-17(9-7-16)15-24-12-4-5-13-24/h6-11H,4-5,12-15H2,1-3H3,(H,23,25)/p+1