2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-(3-thienylmethyl)acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-methyl-N-(3-thiophenylmethyl)acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-(3-thenyl)acetamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CSC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CSC=C3)C

InChI

InChI=1S/C20H27N3OS/c1-16-5-4-6-19(17(16)2)23-10-8-22(9-11-23)14-20(24)21(3)13-18-7-12-25-15-18/h4-7,12,15H,8-11,13-14H2,1-3H3/p+1