2-[[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-ethoxy-3-methoxy-benzyl)-ethyl-amino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)CC2=CC(=O)[N+]3=CC=CC(=C3N2)C

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)CC2=CC(=O)[N+]3=CC=CC(=C3N2)C

InChI

InChI=1S/C22H27N3O3/c1-5-24(14-17-9-10-19(28-6-2)20(12-17)27-4)15-18-13-21(26)25-11-7-8-16(3)22(25)23-18/h7-13H,5-6,14-15H2,1-4H3/p+1