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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

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