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

Systemtic Name: 9-methyl-2-[(phenylmethyl)amino]-3-[(pyridin-3-ylmethylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(benzylamino)-9-methyl-3-[(3-pyridylmethylamino)methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 9-methyl-2-[(phenylmethyl)amino]-3-[(3-pyridinylmethylamino)methylidene]-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 2-(benzylamino)-9-methyl-3-[(pyridin-3-ylmethylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(benzylamino)-9-methyl-3-[(3-pyridylmethylamino)methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H22N5O+ MolecularWeight: 384.45368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O/c1-17-7-6-12-28-22(17)27-21(26-15-18-8-3-2-4-9-18)20(23(28)29)16-25-14-19-10-5-11-24-13-19/h2-13,16H,14-15H2,1H3,(H,25,26,29)/p+1