N-butyl-2-[4-[4-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[4-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[4-(thiazol-4-ylmethylsulfanyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[oxo-[4-(4-thiazolylmethylthio)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[4-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[4-(thiazol-4-ylmethylthio)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O2S2+ MolecularWeight: 433.61056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C21H28N4O2S2/c1-2-3-8-22-20(26)13-24-9-11-25(12-10-24)21(27)17-4-6-19(7-5-17)29-15-18-14-28-16-23-18/h4-7,14,16H,2-3,8-13,15H2,1H3,(H,22,26)/p+1