(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@@H](C)SC2=NN=C(N2CC)C3=CC=CC=C3

InChI

InChI=1S/C19H27N5OS/c1-4-22-11-13-23(14-12-22)18(25)15(3)26-19-21-20-17(24(19)5-2)16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3/p+1/t15-/m1/s1