2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]ethanone Formula: C26H33N5O2S+2 MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

InChI

InChI=1S/C26H31N5O2S/c32-25(31-12-10-29(11-13-31)18-21-6-2-1-3-7-21)20-34-26-22-8-4-5-9-23(22)27-24(28-26)19-30-14-16-33-17-15-30/h1-9H,10-20H2/p+2