N-(3-chloranyl-2,6-diethyl-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H26ClN4OS+ MolecularWeight: 393.95394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C19H25ClN4OS/c1-3-14-5-6-16(20)15(4-2)18(14)22-17(25)13-23-8-10-24(11-9-23)19-21-7-12-26-19/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,22,25)/p+1