9-methyl-2-(pyridin-3-ylmethylamino)-3-[(pyridin-3-ylmethylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 9-methyl-2-(pyridin-3-ylmethylamino)-3-[(pyridin-3-ylmethylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 9-methyl-2-(3-pyridylmethylamino)-3-[(3-pyridylmethylamino)methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 9-methyl-2-(3-pyridinylmethylamino)-3-[(3-pyridinylmethylamino)methylidene]-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 9-methyl-2-(pyridin-3-ylmethylamino)-3-[(pyridin-3-ylmethylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 9-methyl-2-(3-pyridylmethylamino)-3-[(3-pyridylmethylamino)methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H21N6O+ MolecularWeight: 385.44174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N=C(C(=CNCC3=CN=CC=C3)C(=O)[N+]2=CC=C1)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C2N=C(C(=CNCC3=CN=CC=C3)C(=O)[N+]2=CC=C1)NCC4=CN=CC=C4

InChI

InChI=1S/C22H20N6O/c1-16-5-4-10-28-21(16)27-20(26-14-18-7-3-9-24-12-18)19(22(28)29)15-25-13-17-6-2-8-23-11-17/h2-12,15H,13-14H2,1H3,(H,25,26,29)/p+1