3-(4-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-methoxyphenyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-26-21-11-8-18(9-12-21)10-13-22(25)23-16-19-4-6-20(7-5-19)17-24-14-2-3-15-24/h4-9,11-12H,2-3,10,13-17H2,1H3,(H,23,25)/p+1