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

Systemtic Name: 5-(4-ethylphenyl)-2-methyl-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-ethylphenyl)-2-methyl-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-ethylphenyl)-2-methyl-N-(4-piperidin-1-iumyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-ethylphenyl)-2-methyl-N-piperidin-1-ium-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-ethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]-piperidin-1-ium-4-yl-amine Formula: C20H25N4S+ MolecularWeight: 353.5043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)NC4CC[NH2+]CC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)NC4CC[NH2+]CC4)C

InChI

InChI=1S/C20H24N4S/c1-3-14-4-6-15(7-5-14)17-12-25-20-18(17)19(22-13(2)23-20)24-16-8-10-21-11-9-16/h4-7,12,16,21H,3,8-11H2,1-2H3,(H,22,23,24)/p+1