(2S)-N-(3-aminophenyl)-2-(azocan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-aminophenyl)-2-(azocan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-aminophenyl)-2-(azocan-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-aminophenyl)-2-(1-azocan-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-aminophenyl)-2-(azocan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-aminophenyl)-2-(azocan-1-ium-1-yl)propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)N)[NH+]2CCCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)N)[NH+]2CCCCCCC2

InChI

InChI=1S/C16H25N3O/c1-13(19-10-5-3-2-4-6-11-19)16(20)18-15-9-7-8-14(17)12-15/h7-9,12-13H,2-6,10-11,17H2,1H3,(H,18,20)/p+1/t13-/m0/s1