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

Systemtic Name: 6-(4-chlorophenyl)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(4-chlorophenyl)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(4-chlorophenyl)-2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(4-chlorophenyl)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(4-chlorophenyl)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C21H21ClN3O+ MolecularWeight: 366.86394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O/c22-18-9-7-16(8-10-18)19-13-20(26)24-21(23-19)17-5-3-15(4-6-17)14-25-11-1-2-12-25/h3-10,13H,1-2,11-12,14H2,(H,23,24,26)/p+1