2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1R)-1-(1-azepan-1-iumyl)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)[NH+]4CCCCCC4

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)[NH+]4CCCCCC4

InChI

InChI=1S/C20H23N3OS/c1-14(23-11-7-2-3-8-12-23)18-21-19(24)17-16(13-25-20(17)22-18)15-9-5-4-6-10-15/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3,(H,21,22,24)/p+1/t14-/m1/s1