7-methyl-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde

Systemtic Name: 7-methyl-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 2-(4-benzylpiperazin-1-yl)-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 7-methyl-4-oxo-2-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 2-(4-benzylpiperazin-1-yl)-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 2-(4-benzylpiperazino)-4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=C(C2=O)C=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=C(C2=O)C=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c1-16-7-8-19-22-20(18(15-26)21(27)25(19)13-16)24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3/p+1