6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(1-phenylcyclobutyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(1-phenylcyclobutyl)-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(1-phenylcyclobutyl)-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-methyl-3-piperidin-1-iumyl]-2-(1-phenylcyclobutyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(1-phenylcyclobutyl)-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(1-phenylcyclobutyl)-1H-pyrimidin-4-one Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C2=CC(=O)N=C(N2)C3(CCC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C2=CC(=O)N=C(N2)C3(CCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N3O/c1-23-12-5-7-15(14-23)17-13-18(24)22-19(21-17)20(10-6-11-20)16-8-3-2-4-9-16/h2-4,8-9,13,15H,5-7,10-12,14H2,1H3,(H,21,22,24)/p+1/t15-/m0/s1