N-(2-ethylphenyl)-N-[4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-N-[4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-N-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide CAS Name: N-(2-ethylphenyl)-N-[4-[(3-oxo-1-piperazin-1-iumyl)methyl]-2-thiazolyl]acetamide IUPAC Name: N-(2-ethylphenyl)-N-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-(2-ethylphenyl)-N-[4-[(3-ketopiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C2=NC(=CS2)C[NH+]3CCNC(=O)C3)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(C2=NC(=CS2)C[NH+]3CCNC(=O)C3)C(=O)C

InChI

InChI=1S/C18H22N4O2S/c1-3-14-6-4-5-7-16(14)22(13(2)23)18-20-15(12-25-18)10-21-9-8-19-17(24)11-21/h4-7,12H,3,8-11H2,1-2H3,(H,19,24)/p+1