1-ethyl-3-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-thiophen-2-yl-methyl]-6-methyl-2-oxidanyl-pyridin-4-one

Systemtic Name: 1-ethyl-3-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-thiophen-2-yl-methyl]-6-methyl-2-oxidanyl-pyridin-4-one Openeye Name: 1-ethyl-2-hydroxy-3-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(2-thienyl)methyl]-6-methyl-pyridin-4-one CAS Name: 1-ethyl-2-hydroxy-3-[(R)-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-thiophen-2-ylmethyl]-6-methyl-4-pyridinone IUPAC Name: 1-ethyl-2-hydroxy-3-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-thiophen-2-ylmethyl]-6-methylpyridin-4-one Traditional Name: 1-ethyl-2-hydroxy-3-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(2-thienyl)methyl]-6-methyl-4-pyridone Formula: C19H29N3O3S+2 MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)C(=C1O)C(C2=CC=CS2)[NH+]3CC[NH+](CC3)CCO)C

Isomeric SMILES

CCN1C(=CC(=O)C(=C1O)[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)CCO)C

InChI

InChI=1S/C19H27N3O3S/c1-3-22-14(2)13-15(24)17(19(22)25)18(16-5-4-12-26-16)21-8-6-20(7-9-21)10-11-23/h4-5,12-13,18,23,25H,3,6-11H2,1-2H3/p+2/t18-/m0/s1