N-(3-cyanothiophen-2-yl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-(4-phenethyl-1-piperazin-4-iumyl)propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-(4-phenethylpiperazin-4-ium-1-yl)propionamide Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H24N4OS/c21-16-18-8-15-26-20(18)22-19(25)7-10-24-13-11-23(12-14-24)9-6-17-4-2-1-3-5-17/h1-5,8,15H,6-7,9-14H2,(H,22,25)/p+1