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

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-(ethylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-(ethylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-(ethylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-(ethylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-(ethylcarbamoyl)-2-phenyl-acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+]2CCCCCCC2

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCCCCCC2

InChI

InChI=1S/C18H27N3O2/c1-2-19-18(23)20-17(22)16(15-11-7-6-8-12-15)21-13-9-4-3-5-10-14-21/h6-8,11-12,16H,2-5,9-10,13-14H2,1H3,(H2,19,20,22,23)/p+1/t16-/m0/s1