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

Systemtic Name: (2R)-N-(3-cyanothiophen-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-cyano-2-thienyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-cyano-2-thiophenyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanothiophen-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-cyano-2-thienyl)-2-[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)C(C)C(=O)NC3=C(C=CS3)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4OS/c1-14-5-4-6-18(15(14)2)24-10-8-23(9-11-24)16(3)19(25)22-20-17(13-21)7-12-26-20/h4-7,12,16H,8-11H2,1-3H3,(H,22,25)/p+1/t16-/m1/s1