1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-4-oxidanylidene-pyridin-2-olate

Systemtic Name: 1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-4-oxidanylidene-pyridin-2-olate Openeye Name: 1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-4-oxo-pyridin-2-olate CAS Name: 1-(2-methoxyethyl)-6-methyl-3-[(R)-[4-(methylthio)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-4-oxo-2-pyridinolate IUPAC Name: 1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-4-oxopyridin-2-olate Traditional Name: 4-keto-1-(2-methoxyethyl)-6-methyl-3-[(R)-[4-(methylthio)phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methyl]pyridin-2-olate Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCOC)[O-])C(C2=CC=C(C=C2)SC)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCOC)[O-])[C@@H](C2=CC=C(C=C2)SC)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H32N4O3S/c1-19-18-22(31)24(26(32)30(19)16-17-33-2)25(20-7-9-21(34-3)10-8-20)29-14-12-28(13-15-29)23-6-4-5-11-27-23/h4-11,18,25,32H,12-17H2,1-3H3/t25-/m1/s1