(2S)-2-(azocan-1-ium-1-yl)-N-(4-methylphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-2-phenyl-N-(p-tolyl)acetamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCCCCCC3

InChI

InChI=1S/C22H28N2O/c1-18-12-14-20(15-13-18)23-22(25)21(19-10-6-5-7-11-19)24-16-8-3-2-4-9-17-24/h5-7,10-15,21H,2-4,8-9,16-17H2,1H3,(H,23,25)/p+1/t21-/m0/s1