(2S)-N-(4-aminophenyl)-2-(azepan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-aminophenyl)-2-(azepan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-aminophenyl)-2-(azepan-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-aminophenyl)-2-(1-azepan-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-aminophenyl)-2-(azepan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-aminophenyl)-2-(azepan-1-ium-1-yl)propionamide Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N)[NH+]2CCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N)[NH+]2CCCCCC2

InChI

InChI=1S/C15H23N3O/c1-12(18-10-4-2-3-5-11-18)15(19)17-14-8-6-13(16)7-9-14/h6-9,12H,2-5,10-11,16H2,1H3,(H,17,19)/p+1/t12-/m0/s1