6-(cyclopentylmethyl)-2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(cyclopentylmethyl)-2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(cyclopentylmethyl)-2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(cyclopentylmethyl)-2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(cyclopentylmethyl)-2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(cyclopentylmethyl)-2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCCOCC4

Isomeric SMILES

C1CCC(C1)CC2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCCOCC4

InChI

InChI=1S/C22H29N3O2/c26-21-15-20(14-17-5-1-2-6-17)23-22(24-21)19-8-3-7-18(13-19)16-25-9-4-11-27-12-10-25/h3,7-8,13,15,17H,1-2,4-6,9-12,14,16H2,(H,23,24,26)/p+1