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

Systemtic Name: (2S)-2-(4-methylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: (2S)-2-(4-methylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: (2S)-2-(4-methylphenoxy)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: (2S)-2-(4-methylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: (2S)-2-(4-methylphenoxy)-N-[4-(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)OC(C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H30N2O2/c1-18-6-12-22(13-7-18)27-19(2)23(26)24-16-20-8-10-21(11-9-20)17-25-14-4-3-5-15-25/h6-13,19H,3-5,14-17H2,1-2H3,(H,24,26)/p+1/t19-/m0/s1