6-(cyclopentylmethyl)-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(cyclopentylmethyl)-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(cyclopentylmethyl)-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(cyclopentylmethyl)-2-[4-(1-piperidin-1-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(cyclopentylmethyl)-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(cyclopentylmethyl)-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CC4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CC4CCCC4

InChI

InChI=1S/C22H29N3O/c26-21-15-20(14-17-6-2-3-7-17)23-22(24-21)19-10-8-18(9-11-19)16-25-12-4-1-5-13-25/h8-11,15,17H,1-7,12-14,16H2,(H,23,24,26)/p+1