(2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(phenylmethyl)butanamide Openeye Name: (2R)-N-benzyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-butanamide CAS Name: (2R)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-(phenylmethyl)butanamide IUPAC Name: (2R)-N-benzyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide Traditional Name: (2R)-N-benzyl-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]butyramide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C24H28N4O2S/c1-2-21(23(29)25-16-18-8-4-3-5-9-18)31-24-19-10-6-7-11-20(19)26-22(27-24)17-28-12-14-30-15-13-28/h3-11,21H,2,12-17H2,1H3,(H,25,29)/p+1/t21-/m1/s1