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

Systemtic Name: N-(3-azanyl-4-chloranyl-phenyl)-2-(azocan-1-ium-1-yl)ethanamide Openeye Name: N-(3-amino-4-chloro-phenyl)-2-(azocan-1-ium-1-yl)acetamide CAS Name: N-(3-amino-4-chlorophenyl)-2-(1-azocan-1-iumyl)acetamide IUPAC Name: N-(3-amino-4-chlorophenyl)-2-(azocan-1-ium-1-yl)acetamide Traditional Name: N-(3-amino-4-chloro-phenyl)-2-(azocan-1-ium-1-yl)acetamide Formula: C15H23ClN3O+ MolecularWeight: 296.81562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C15H22ClN3O/c16-13-7-6-12(10-14(13)17)18-15(20)11-19-8-4-2-1-3-5-9-19/h6-7,10H,1-5,8-9,11,17H2,(H,18,20)/p+1