2-[(1,3-benzodioxol-5-ylamino)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H16N3O3+ MolecularWeight: 310.32724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O3/c1-11-2-5-16-19-13(7-17(21)20(16)9-11)8-18-12-3-4-14-15(6-12)23-10-22-14/h2-7,9,18H,8,10H2,1H3/p+1