2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-5-(p-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-methyl-5-(4-methylbenzyl)-1H-pyrimidin-4-one Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)N)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)N)C

InChI

InChI=1S/C24H29N5O/c1-17-3-5-19(6-4-17)15-22-18(2)26-24(27-23(22)30)29-13-11-28(12-14-29)16-20-7-9-21(25)10-8-20/h3-10H,11-16,25H2,1-2H3,(H,26,27,30)/p+1