(2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2R)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2R)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C26H31N4O2S+ MolecularWeight: 463.61494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

InChI

InChI=1S/C26H30N4O2S/c31-26(30-13-7-2-8-14-30)24(20-9-3-1-4-10-20)33-25-21-11-5-6-12-22(21)27-23(28-25)19-29-15-17-32-18-16-29/h1,3-6,9-12,24H,2,7-8,13-19H2/p+1/t24-/m1/s1