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

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C#N)C

InChI

InChI=1S/C20H24N4OS/c1-15-4-3-5-18(16(15)2)24-11-9-23(10-12-24)8-6-19(25)22-20-17(14-21)7-13-26-20/h3-5,7,13H,6,8-12H2,1-2H3,(H,22,25)/p+1