5-phenyl-2-[(1R)-1-pyrrolidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[(1R)-1-pyrrolidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[(1R)-1-pyrrolidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[(1R)-1-(1-pyrrolidin-1-iumyl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(1R)-1-pyrrolidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[(1R)-1-pyrrolidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)[NH+]4CCCC4

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)[NH+]4CCCC4

InChI

InChI=1S/C18H19N3OS/c1-12(21-9-5-6-10-21)16-19-17(22)15-14(11-23-18(15)20-16)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,19,20,22)/p+1/t12-/m1/s1