2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C21H31N3O2S+2 MolecularWeight: 389.55474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H29N3O2S/c1-17-5-6-20(26-2)18(14-17)15-23-9-11-24(12-10-23)16-21(25)22-8-7-19-4-3-13-27-19/h3-6,13-14H,7-12,15-16H2,1-2H3,(H,22,25)/p+2