2-(phenethylamino)-3-[(phenethylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(phenethylamino)-3-[(phenethylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(phenethylamino)-3-[(phenethylamino)methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(phenethylamino)-3-[(phenethylamino)methylidene]-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 2-(phenethylamino)-3-[(phenethylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(phenethylamino)-3-[(phenethylamino)methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C25H25N4O+ MolecularWeight: 397.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC=C2C(=NC3=CC=CC=[N+]3C2=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC=C2C(=NC3=CC=CC=[N+]3C2=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O/c30-25-22(19-26-16-14-20-9-3-1-4-10-20)24(28-23-13-7-8-18-29(23)25)27-17-15-21-11-5-2-6-12-21/h1-13,18-19H,14-17H2,(H,26,27,30)/p+1