(2R)-N-cyclohexyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-cyclohexyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cyclohexyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2R)-N-cyclohexyl-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-cyclohexyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2R)-N-cyclohexyl-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]propionamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C22H30N4O2S/c1-16(21(27)23-17-7-3-2-4-8-17)29-22-18-9-5-6-10-19(18)24-20(25-22)15-26-11-13-28-14-12-26/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,23,27)/p+1/t16-/m1/s1