1-(2,5-dimethylthiophen-3-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-(4-pyridin-1-ium-2-ylpiperazino)butane-1,4-dione Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23N3O2S/c1-14-13-16(15(2)25-14)17(23)6-7-19(24)22-11-9-21(10-12-22)18-5-3-4-8-20-18/h3-5,8,13H,6-7,9-12H2,1-2H3/p+1