2-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-6-[(2R)-oxolan-2-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-6-[(2R)-oxolan-2-yl]-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-6-[(2R)-tetrahydrofuran-2-yl]-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]-6-[(2R)-2-oxolanyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-6-[(2R)-oxolan-2-yl]-1H-pyrimidin-4-one Traditional Name: 2-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-6-[(2R)-tetrahydrofuran-2-yl]-1H-pyrimidin-4-one Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CCCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)[C@H]4CCCO4

InChI

InChI=1S/C21H28N4O2/c1-2-24-9-11-25(12-10-24)15-16-5-7-17(8-6-16)21-22-18(14-20(26)23-21)19-4-3-13-27-19/h5-8,14,19H,2-4,9-13,15H2,1H3,(H,22,23,26)/p+1/t19-/m1/s1