6-methyl-2-[(3-nitrophenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 6-methyl-2-[(3-nitrophenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 6-methyl-2-[(3-nitrophenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 6-methyl-2-[(3-nitrophenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 6-methyl-2-[(3-nitrophenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 6-methyl-2-[(3-nitrophenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H14N3O4+ MolecularWeight: 312.30006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4/c1-11-4-2-7-15-17-12(8-16(20)18(11)15)10-23-14-6-3-5-13(9-14)19(21)22/h2-9H,10H2,1H3/p+1