8-methyl-2-[(4-nitro-2-thiophen-2-yl-phenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 8-methyl-2-[(4-nitro-2-thiophen-2-yl-phenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 8-methyl-2-[[4-nitro-2-(2-thienyl)phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 8-methyl-2-[(4-nitro-2-thiophen-2-ylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 8-methyl-2-[(4-nitro-2-thiophen-2-ylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 8-methyl-2-[[4-nitro-2-(2-thienyl)phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H16N3O4S+ MolecularWeight: 394.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H15N3O4S/c1-13-6-7-22-19(9-13)21-14(10-20(22)24)12-27-17-5-4-15(23(25)26)11-16(17)18-3-2-8-28-18/h2-11H,12H2,1H3/p+1