N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-2-15-18-19-16(23-15)17-14(22)12-20-8-10-21(11-9-20)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,19,22)/p+1