2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide Openeye Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-(3-thienylmethyl)acetamide CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-methyl-N-(3-thiophenylmethyl)acetamide IUPAC Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide Traditional Name: 2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-methyl-N-(3-thenyl)acetamide Formula: C22H33N3O3S+2 MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)N(C)CC3=CSC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)N(C)CC3=CSC=C3)OC)OC

InChI

InChI=1S/C22H31N3O3S/c1-17-11-20(27-3)21(28-4)12-19(17)14-24-6-8-25(9-7-24)15-22(26)23(2)13-18-5-10-29-16-18/h5,10-12,16H,6-9,13-15H2,1-4H3/p+2