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

Systemtic Name: (2R)-N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-cyano-2-thienyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-cyano-2-thiophenyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-cyano-2-thienyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H24N4O2S/c1-3-26-18-7-5-4-6-17(18)24-11-9-23(10-12-24)15(2)19(25)22-20-16(14-21)8-13-27-20/h4-8,13,15H,3,9-12H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1