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

Systemtic Name: 7-methyl-2-[(4-nitro-2-thiophen-2-yl-phenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[[4-nitro-2-(2-thienyl)phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[(4-nitro-2-thiophen-2-ylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(4-nitro-2-thiophen-2-ylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-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=C[N+]2=C(C=C1)NC(=CC2=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

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