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

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)C3=CC=CC=C3O

InChI

InChI=1S/C18H20N4O2S/c19-13-14-6-12-25-18(14)20-17(24)5-7-21-8-10-22(11-9-21)15-3-1-2-4-16(15)23/h1-4,6,12,23H,5,7-11H2,(H,20,24)/p+1