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

Systemtic Name: 5-[(4-bromophenyl)methyl]-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(4-bromophenyl)methyl]-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-1H-pyrimidin-4-one Formula: C18H24BrN4O2+ MolecularWeight: 408.31276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CCO)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CCO)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H23BrN4O2/c1-13-16(12-14-2-4-15(19)5-3-14)17(25)21-18(20-13)23-8-6-22(7-9-23)10-11-24/h2-5,24H,6-12H2,1H3,(H,20,21,25)/p+1