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

Systemtic Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propionamide Formula: C20H22N5OS+ MolecularWeight: 380.48658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N5OS/c21-13-16-1-3-17(4-2-16)15-25-10-8-24(9-11-25)7-5-19(26)23-20-18(14-22)6-12-27-20/h1-4,6,12H,5,7-11,15H2,(H,23,26)/p+1