N-(4-cyanophenyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-cyanophenyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-cyanophenyl)-3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(4-cyanophenyl)-3-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-cyanophenyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-cyanophenyl)-3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C17H20N5OS+ MolecularWeight: 342.4386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)C#N)C3=NC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)C#N)C3=NC=CS3

InChI

InChI=1S/C17H19N5OS/c18-13-14-1-3-15(4-2-14)20-16(23)5-7-21-8-10-22(11-9-21)17-19-6-12-24-17/h1-4,6,12H,5,7-11H2,(H,20,23)/p+1