2-[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-piperidin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCC(CC2)NC3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCC(CC2)NC3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C23H27N5OS/c29-21(28-10-4-5-11-28)15-27-12-8-18(9-13-27)26-22-19-14-20(17-6-2-1-3-7-17)30-23(19)25-16-24-22/h1-3,6-7,14,16,18H,4-5,8-13,15H2,(H,24,25,26)/p+1