3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propionamide Formula: C18H20ClN4OS+ MolecularWeight: 375.8956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN4OS/c19-15-2-1-3-16(12-15)23-9-7-22(8-10-23)6-4-17(24)21-18-14(13-20)5-11-25-18/h1-3,5,11-12H,4,6-10H2,(H,21,24)/p+1