2-[(2S)-1-morpholin-4-ium-4-yl-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[(2S)-1-morpholin-4-ium-4-yl-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[(1S)-1-(morpholin-4-ium-4-ylmethyl)-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenyl-quinazolin-4-one CAS Name: 2-[[(2S)-1-(4-morpholin-4-iumyl)-3-(2-oxo-1-pyrrolidinyl)propan-2-yl]thio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(2S)-1-morpholin-4-ium-4-yl-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one Traditional Name: 2-[[(1S)-1-[(2-ketopyrrolidino)methyl]-2-morpholin-4-ium-4-yl-ethyl]thio]-3-phenyl-quinazolin-4-one Formula: C25H29N4O3S+ MolecularWeight: 465.58776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC(C[NH+]2CCOCC2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N(C1)C[C@@H](C[NH+]2CCOCC2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O3S/c30-23-11-6-12-28(23)18-20(17-27-13-15-32-16-14-27)33-25-26-22-10-5-4-9-21(22)24(31)29(25)19-7-2-1-3-8-19/h1-5,7-10,20H,6,11-18H2/p+1/t20-/m1/s1