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

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5-benzyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-5-benzyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-5-benzyl-6-methyl-1H-pyrimidin-4-one Formula: C23H28N5O+ MolecularWeight: 390.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O/c1-17-21(15-18-5-3-2-4-6-18)22(29)26-23(25-17)28-13-11-27(12-14-28)16-19-7-9-20(24)10-8-19/h2-10H,11-16,24H2,1H3,(H,25,26,29)/p+1