1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-1-yl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-[4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(1-naphthylmethyl)piperazino]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone Formula: C27H31N6OS+ MolecularWeight: 487.63964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C5=C6C=CSC6=NC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C5=C6C=CSC6=NC=N5

InChI

InChI=1S/C27H30N6OS/c34-25(19-31-11-15-33(16-12-31)26-24-8-17-35-27(24)29-20-28-26)32-13-9-30(10-14-32)18-22-6-3-5-21-4-1-2-7-23(21)22/h1-8,17,20H,9-16,18-19H2/p+1