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

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]propionamide Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H24N4OS/c24-16-19-9-15-29-23(19)25-22(28)8-10-26-11-13-27(14-12-26)17-20-6-3-5-18-4-1-2-7-21(18)20/h1-7,9,15H,8,10-14,17H2,(H,25,28)/p+1