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

Systemtic Name: 6-phenethyl-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-phenethyl-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-phenethyl-2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-phenethyl-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-phenethyl-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O/c27-22-16-21(13-10-18-6-2-1-3-7-18)24-23(25-22)20-11-8-19(9-12-20)17-26-14-4-5-15-26/h1-3,6-9,11-12,16H,4-5,10,13-15,17H2,(H,24,25,27)/p+1