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

Systemtic Name: (2S)-2-phenoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: (2S)-2-phenoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: (2S)-2-phenoxy-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: (2S)-2-phenoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: (2S)-2-phenoxy-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)OC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-18(26-21-8-4-2-5-9-21)22(25)23-16-19-10-12-20(13-11-19)17-24-14-6-3-7-15-24/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,23,25)/p+1/t18-/m0/s1