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

Systemtic Name: 3-(2-methylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(2-methylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(2-methylphenoxy)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(2-methylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(2-methylphenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H30N2O2/c1-19-7-3-4-8-22(19)27-16-13-23(26)24-17-20-9-11-21(12-10-20)18-25-14-5-2-6-15-25/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,24,26)/p+1