(2S)-N-(3-azanyl-4-chloranyl-phenyl)-2-(azocan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-azanyl-4-chloranyl-phenyl)-2-(azocan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-amino-4-chloro-phenyl)-2-(azocan-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-amino-4-chlorophenyl)-2-(1-azocan-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-amino-4-chlorophenyl)-2-(azocan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-amino-4-chloro-phenyl)-2-(azocan-1-ium-1-yl)propionamide Formula: C16H25ClN3O+ MolecularWeight: 310.8422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O/c1-12(20-9-5-3-2-4-6-10-20)16(21)19-13-7-8-14(17)15(18)11-13/h7-8,11-12H,2-6,9-10,18H2,1H3,(H,19,21)/p+1/t12-/m0/s1