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

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propionamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H22N4O2S/c1-15(25)16-2-4-18(5-3-16)24-11-9-23(10-12-24)8-6-19(26)22-20-17(14-21)7-13-27-20/h2-5,7,13H,6,8-12H2,1H3,(H,22,26)/p+1