(2R)-2-(3-methylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: (2R)-2-(3-methylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: (2R)-2-(3-methylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: (2R)-2-(3-methylphenoxy)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: (2R)-2-(3-methylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: (2R)-2-(3-methylphenoxy)-N-[4-(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=C1)OC(C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O2/c1-17-6-5-7-21(14-17)26-18(2)22(25)23-15-19-8-10-20(11-9-19)16-24-12-3-4-13-24/h5-11,14,18H,3-4,12-13,15-16H2,1-2H3,(H,23,25)/p+1/t18-/m1/s1