2-[4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 2-[4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 2-[4-[2-(2-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]nicotinamide Formula: C18H22ClN4O2+ MolecularWeight: 361.84588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)C3=C(C=CC=N3)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)C3=C(C=CC=N3)C(=O)N

InChI

InChI=1S/C18H21ClN4O2/c19-15-5-1-2-6-16(15)25-13-12-22-8-10-23(11-9-22)18-14(17(20)24)4-3-7-21-18/h1-7H,8-13H2,(H2,20,24)/p+1