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

Systemtic Name: 9-methyl-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]pyrimidine-3-carbaldehyde Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carbaldehyde CAS Name: 9-methyl-4-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyrido[1,2-a]pyrimidinecarboxaldehyde IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidine-3-carbaldehyde Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=O)N3CC[NH+](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