N-(1-cyanocycloheptyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C17H26N5OS+ MolecularWeight: 348.48624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C17H25N5OS/c18-14-17(5-3-1-2-4-6-17)20-15(23)13-21-8-10-22(11-9-21)16-19-7-12-24-16/h7,12H,1-6,8-11,13H2,(H,20,23)/p+1