N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]thieno[2,3-d]pyrimidin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C3C=CSC3=NC=N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1NC2=C3C=CSC3=NC=N2)CC4=CC=C(C=C4)Cl

InChI

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