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

Systemtic Name: 2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]ethanamide Openeye Name: 2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide Traditional Name: 2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-(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)NC(C)C3=CC=CS3

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H31N3OS/c1-17(2)20-8-6-19(7-9-20)15-24-10-12-25(13-11-24)16-22(26)23-18(3)21-5-4-14-27-21/h4-9,14,17-18H,10-13,15-16H2,1-3H3,(H,23,26)/p+2/t18-/m1/s1