N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4)C

InChI

InChI=1S/C25H30N4O2S/c1-18-8-9-20(19(2)14-18)15-28(3)24(30)17-32-25-21-6-4-5-7-22(21)26-23(27-25)16-29-10-12-31-13-11-29/h4-9,14H,10-13,15-17H2,1-3H3/p+1