3-(2-methylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(2-methylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(2-methylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(2-methylphenoxy)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(2-methylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(2-methylphenoxy)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O2/c1-18-8-2-5-11-21(18)26-15-12-22(25)23-16-19-9-3-4-10-20(19)17-24-13-6-7-14-24/h2-5,8-11H,6-7,12-17H2,1H3,(H,23,25)/p+1