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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=C(C=CS3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=C(C=CS3)C)C

InChI

InChI=1S/C21H29N3OS/c1-16-6-5-7-19(18(16)3)24-11-9-23(10-12-24)15-21(25)22(4)14-20-17(2)8-13-26-20/h5-8,13H,9-12,14-15H2,1-4H3/p+1