6-methyl-5-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-methyl-5-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-methyl-5-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]-1H-pyrimidine-2,4-dione CAS Name: 6-methyl-5-[3-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]phenyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-methyl-5-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-methyl-5-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]uracil Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)C2=CC(=CC=C2)C(C)[NH+]3CCCC3

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)C2=CC(=CC=C2)[C@H](C)[NH+]3CCCC3

InChI

InChI=1S/C17H21N3O2/c1-11-15(16(21)19-17(22)18-11)14-7-5-6-13(10-14)12(2)20-8-3-4-9-20/h5-7,10,12H,3-4,8-9H2,1-2H3,(H2,18,19,21,22)/p+1/t12-/m0/s1