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

Systemtic Name: 7-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)-7-methyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carbaldehyde CAS Name: 7-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)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-keto-7-methyl-pyrido[1,2-a]pyrimidine-3-carbaldehyde Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=C(C2=O)C=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=C(C2=O)C=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C=C1

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