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

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C18H31N3OS+2 MolecularWeight: 337.52324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C18H29N3OS/c1-15-5-2-3-7-17(15)19-18(22)14-21-10-8-20(9-11-21)13-16-6-4-12-23-16/h4,6,12,15,17H,2-3,5,7-11,13-14H2,1H3,(H,19,22)/p+2/t15-,17-/m0/s1