(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propan-1-one Openeye Name: (2S)-2-(1-benzyltetrazol-5-yl)sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]-1-propanone IUPAC Name: (2S)-2-(1-benzyltetrazol-5-yl)sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-[(1-benzyltetrazol-5-yl)thio]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H25N6OS+ MolecularWeight: 361.485

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NN=NN2CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NN=NN2CC3=CC=CC=C3

InChI

InChI=1S/C17H24N6OS/c1-3-21-9-11-22(12-10-21)16(24)14(2)25-17-18-19-20-23(17)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/p+1/t14-/m0/s1