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

Systemtic Name: N-(4-azanyl-2-chloranyl-phenyl)-2-(azepan-1-ium-1-yl)ethanamide Openeye Name: N-(4-amino-2-chloro-phenyl)-2-(azepan-1-ium-1-yl)acetamide CAS Name: N-(4-amino-2-chlorophenyl)-2-(1-azepan-1-iumyl)acetamide IUPAC Name: N-(4-amino-2-chlorophenyl)-2-(azepan-1-ium-1-yl)acetamide Traditional Name: N-(4-amino-2-chloro-phenyl)-2-(azepan-1-ium-1-yl)acetamide Formula: C14H21ClN3O+ MolecularWeight: 282.78904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C14H20ClN3O/c15-12-9-11(16)5-6-13(12)17-14(19)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10,16H2,(H,17,19)/p+1