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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C19H27N5O/c1-2-3-4-17-13-18(25)22-19(21-17)24-11-9-23(10-12-24)14-15-5-7-16(20)8-6-15/h5-8,13H,2-4,9-12,14,20H2,1H3,(H,21,22,25)/p+1