(2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)butanamide

Systemtic Name: (2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)butanamide Openeye Name: (2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)butanamide CAS Name: (2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenyl-1-piperazin-1-iumyl)butanamide IUPAC Name: (2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)butanamide Traditional Name: (2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)butyramide Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)NC1=NN=C(S1)C)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H23N5OS/c1-3-15(16(23)18-17-20-19-13(2)24-17)22-11-9-21(10-12-22)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3,(H,18,20,23)/p+1/t15-/m0/s1