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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(S1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-12(15(22)17-16-19-18-13(2)23-16)20-8-10-21(11-9-20)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,17,19,22)/p+1/t12-/m0/s1