2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C18H29N6O2S+ MolecularWeight: 393.52686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C18H28N6O2S/c1-14-19-20-18(24(14)15-4-5-15)27-13-17(26)23-10-8-21(9-11-23)12-16(25)22-6-2-3-7-22/h15H,2-13H2,1H3/p+1