1-(2,5-dimethylthiophen-3-yl)-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]butane-1,4-dione Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=C(SC(=C3)C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=C(SC(=C3)C)C

InChI

InChI=1S/C22H28N2O2S/c1-16-6-4-5-7-19(16)15-23-10-12-24(13-11-23)22(26)9-8-21(25)20-14-17(2)27-18(20)3/h4-7,14H,8-13,15H2,1-3H3/p+1