6-cyclobutyl-2-[2-[[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-cyclobutyl-2-[2-[[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-cyclobutyl-2-[2-[[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-cyclobutyl-2-[2-[[(2S)-2-(1-imidazolylmethyl)-1-pyrrolidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-cyclobutyl-2-[2-[[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-cyclobutyl-2-[2-[[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=CC(=O)N=C(N2)C3=CC=CC=C3C[NH+]4CCCC4CN5C=CN=C5

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4CCC4)CN5C=CN=C5

InChI

InChI=1S/C23H27N5O/c29-22-13-21(17-6-3-7-17)25-23(26-22)20-9-2-1-5-18(20)14-28-11-4-8-19(28)15-27-12-10-24-16-27/h1-2,5,9-10,12-13,16-17,19H,3-4,6-8,11,14-15H2,(H,25,26,29)/p+1/t19-/m0/s1