N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-thieno[2,3-d]pyrimidin-4-yl-amine Formula: C18H20ClN4S+ MolecularWeight: 359.8962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC2=C3C=CSC3=NC=N2)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC2=C3C=CSC3=NC=N2)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H19ClN4S/c19-15-6-2-1-5-13(15)16(23-8-3-4-9-23)11-20-17-14-7-10-24-18(14)22-12-21-17/h1-2,5-7,10,12,16H,3-4,8-9,11H2,(H,20,21,22)/p+1/t16-/m0/s1