2,3-dimethoxy-5-(4-methylpyridin-1-ium-1-yl)sulfanyl-naphthalene-1,4-dione

Systemtic Name: 2,3-dimethoxy-5-(4-methylpyridin-1-ium-1-yl)sulfanyl-naphthalene-1,4-dione Openeye Name: 2,3-dimethoxy-5-(4-methylpyridin-1-ium-1-yl)sulfanyl-naphthalene-1,4-dione CAS Name: 2,3-dimethoxy-5-[(4-methyl-1-pyridin-1-iumyl)thio]naphthalene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-(4-methylpyridin-1-ium-1-yl)sulfanylnaphthalene-1,4-dione Traditional Name: 2,3-dimethoxy-5-[(4-methylpyridin-1-ium-1-yl)thio]-1,4-naphthoquinone Formula: C18H16NO4S+ MolecularWeight: 342.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)SC2=CC=CC3=C2C(=O)C(=C(C3=O)OC)OC

Isomeric SMILES

CC1=CC=[N+](C=C1)SC2=CC=CC3=C2C(=O)C(=C(C3=O)OC)OC

InChI

InChI=1S/C18H16NO4S/c1-11-7-9-19(10-8-11)24-13-6-4-5-12-14(13)16(21)18(23-3)17(22-2)15(12)20/h4-10H,1-3H3/q+1