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

Systemtic Name: N-(4-azanyl-2-chloranyl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-amino-2-chloro-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-amino-2-chlorophenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-amino-2-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-amino-2-chloro-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C17H21ClN5O+ MolecularWeight: 346.83454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)N)Cl)C3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)N)Cl)C3=CC=CC=N3

InChI

InChI=1S/C17H20ClN5O/c18-14-11-13(19)4-5-15(14)21-17(24)12-22-7-9-23(10-8-22)16-3-1-2-6-20-16/h1-6,11H,7-10,12,19H2,(H,21,24)/p+1