5-(4-chlorophenyl)-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(4-chlorophenyl)-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-chlorophenyl)-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-chlorophenyl)-N-(4-piperidin-1-iumyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-chlorophenyl)-N-piperidin-1-ium-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-piperidin-1-ium-4-yl-amine Formula: C17H18ClN4S+ MolecularWeight: 345.86962

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH2+]CCC1NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H17ClN4S/c18-12-3-1-11(2-4-12)14-9-23-17-15(14)16(20-10-21-17)22-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8H2,(H,20,21,22)/p+1