3-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-N-(3-cyano-2-thienyl)propionamide Formula: C18H28N5O2S+ MolecularWeight: 378.51222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H27N5O2S/c1-18(2,3)21-16(25)13-23-9-7-22(8-10-23)6-4-15(24)20-17-14(12-19)5-11-26-17/h5,11H,4,6-10,13H2,1-3H3,(H,20,24)(H,21,25)/p+1