N-[2-(4-propan-2-ylphenyl)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[2-(4-propan-2-ylphenyl)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[2-(4-isopropylphenyl)ethyl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[2-(4-propan-2-ylphenyl)ethyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[2-(4-propan-2-ylphenyl)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-p-cumenylethyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H33N3OS+2 MolecularWeight: 387.58192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C22H31N3OS/c1-18(2)20-7-5-19(6-8-20)9-10-23-22(26)17-25-13-11-24(12-14-25)16-21-4-3-15-27-21/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,23,26)/p+2