6-[(1S)-1-phenoxyethyl]-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(1S)-1-phenoxyethyl]-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-[(1S)-1-phenoxyethyl]-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-[(1S)-1-phenoxyethyl]-2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(1S)-1-phenoxyethyl]-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-[(1S)-1-phenoxyethyl]-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCC3)OC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCC3)OC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c1-17(28-20-7-3-2-4-8-20)21-15-22(27)25-23(24-21)19-11-9-18(10-12-19)16-26-13-5-6-14-26/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3,(H,24,25,27)/p+1/t17-/m0/s1