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

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-tert-butyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-tert-butyl-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-tert-butyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-tert-butyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-tert-butyl-1H-pyrimidin-4-one Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C19H27N5O/c1-19(2,3)16-12-17(25)22-18(21-16)24-10-8-23(9-11-24)13-14-4-6-15(20)7-5-14/h4-7,12H,8-11,13,20H2,1-3H3,(H,21,22,25)/p+1