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

Systemtic Name: 9-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)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 9-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)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 2-(4-benzylpiperazino)-4-keto-9-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=C2NC(=C(C(=O)[N+]2=CC=C1)C=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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