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

Systemtic Name: 6-ethyl-2-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-ethyl-2-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-ethyl-2-[4-[[4-[2-(1-imidazolyl)ethyl]-1-piperazin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-ethyl-2-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-ethyl-2-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCN(CC3)CCN4C=CN=C4

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCN(CC3)CCN4C=CN=C4

InChI

InChI=1S/C22H28N6O/c1-2-20-15-21(29)25-22(24-20)19-5-3-18(4-6-19)16-27-12-9-26(10-13-27)11-14-28-8-7-23-17-28/h3-8,15,17H,2,9-14,16H2,1H3,(H,24,25,29)/p+1