N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C16H28N4O2S+2 MolecularWeight: 340.48412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CS2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CS2

InChI

InChI=1S/C16H26N4O2S/c1-3-13(2)17-16(22)18-15(21)12-20-8-6-19(7-9-20)11-14-5-4-10-23-14/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H2,17,18,21,22)/p+2/t13-/m0/s1