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

Systemtic Name: 1-ethyl-6-methyl-3-[(R)-(4-methylpiperazine-1,4-diium-1-yl)-thiophen-2-yl-methyl]-2-oxidanyl-pyridin-4-one Openeye Name: 1-ethyl-2-hydroxy-6-methyl-3-[(R)-(4-methylpiperazine-1,4-diium-1-yl)-(2-thienyl)methyl]pyridin-4-one CAS Name: 1-ethyl-2-hydroxy-6-methyl-3-[(R)-(4-methyl-1-piperazine-1,4-diiumyl)-thiophen-2-ylmethyl]-4-pyridinone IUPAC Name: 1-ethyl-2-hydroxy-6-methyl-3-[(R)-(4-methylpiperazine-1,4-diium-1-yl)-thiophen-2-ylmethyl]pyridin-4-one Traditional Name: 1-ethyl-2-hydroxy-6-methyl-3-[(R)-(4-methylpiperazine-1,4-diium-1-yl)-(2-thienyl)methyl]-4-pyridone Formula: C18H27N3O2S+2 MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2S/c1-4-21-13(2)12-14(22)16(18(21)23)17(15-6-5-11-24-15)20-9-7-19(3)8-10-20/h5-6,11-12,17,23H,4,7-10H2,1-3H3/p+2/t17-/m0/s1