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

Systemtic Name: 2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C22H33N3OS+2 MolecularWeight: 387.58192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3

InChI

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