N-(3-chlorophenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chlorophenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C18H22ClN4O+ MolecularWeight: 345.84648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O/c19-16-2-1-3-17(14-16)21-18(24)23-12-10-22(11-13-23)9-6-15-4-7-20-8-5-15/h1-5,7-8,14H,6,9-13H2,(H,21,24)/p+1