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

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: (2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: (2R)-2-[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:

CC(C(=O)NC1=C(C=CS1)C#N)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN4OS/c1-13(17(24)21-18-14(12-20)5-10-25-18)22-6-8-23(9-7-22)16-4-2-3-15(19)11-16/h2-5,10-11,13H,6-9H2,1H3,(H,21,24)/p+1/t13-/m1/s1