2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 4-keto-2-[4-(4-methoxyphenyl)sulfonylpiperazino]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C20H21N4O5S+ MolecularWeight: 429.46954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)[N+]4=CC=CC=C4N3)C=O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)[N+]4=CC=CC=C4N3)C=O

InChI

InChI=1S/C20H20N4O5S/c1-29-15-5-7-16(8-6-15)30(27,28)23-12-10-22(11-13-23)19-17(14-25)20(26)24-9-3-2-4-18(24)21-19/h2-9,14H,10-13H2,1H3/p+1