5-ethyl-2-[4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-ethyl-2-[4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-ethyl-2-[4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-ethyl-2-[4-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-2-[4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-ethyl-2-[4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)C2=CC=C(C=C2)C[NH+]3CCC(C3)COC)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)C2=CC=C(C=C2)C[NH+]3CC[C@@H](C3)COC)C

InChI

InChI=1S/C20H27N3O2/c1-4-18-14(2)21-19(22-20(18)24)17-7-5-15(6-8-17)11-23-10-9-16(12-23)13-25-3/h5-8,16H,4,9-13H2,1-3H3,(H,21,22,24)/p+1/t16-/m0/s1