(2S)-N-(4-dimethylaminophenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-dimethylaminophenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(4-dimethylaminophenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-(4-dimethylaminophenyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(4-dimethylaminophenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-(4-dimethylaminophenyl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]propionamide Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C24H29N5O2S/c1-17(23(30)25-18-8-10-19(11-9-18)28(2)3)32-24-20-6-4-5-7-21(20)26-22(27-24)16-29-12-14-31-15-13-29/h4-11,17H,12-16H2,1-3H3,(H,25,30)/p+1/t17-/m0/s1