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

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-ethyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-ethyl-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-ethyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-ethyl-1H-pyrimidin-4-one Formula: C17H24N5O+ MolecularWeight: 314.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C17H23N5O/c1-2-15-11-16(23)20-17(19-15)22-9-7-21(8-10-22)12-13-3-5-14(18)6-4-13/h3-6,11H,2,7-10,12,18H2,1H3,(H,19,20,23)/p+1