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

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H25N3O2S/c1-15-13-18(16(2)26-15)19(24)3-4-20(25)23-11-9-22(10-12-23)14-17-5-7-21-8-6-17/h5-8,13H,3-4,9-12,14H2,1-2H3/p+1