2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C17H29N6O2S+ MolecularWeight: 381.51616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N6O2S/c1-12(2)18-15(24)10-21-6-8-22(9-7-21)16(25)11-26-17-20-19-13(3)23(17)14-4-5-14/h12,14H,4-11H2,1-3H3,(H,18,24)/p+1