2-[4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[3-[(2-amino-2-keto-ethyl)thio]propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C19H29N4O3S+ MolecularWeight: 393.52356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCSCC(=O)N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCSCC(=O)N

InChI

InChI=1S/C19H28N4O3S/c1-2-15-5-3-4-6-16(15)21-18(25)13-22-8-10-23(11-9-22)19(26)7-12-27-14-17(20)24/h3-6H,2,7-14H2,1H3,(H2,20,24)(H,21,25)/p+1