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

Systemtic Name: 3-(3-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(3-methoxyphenyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(3-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(3-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=CC(=C1)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

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

InChI

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