N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCOCC4

InChI

InChI=1S/C25H29N3O3S/c1-18-15-25(27-22-6-4-3-5-21(18)22)32-17-24(29)26-16-23(28-11-13-31-14-12-28)19-7-9-20(30-2)10-8-19/h3-10,15,23H,11-14,16-17H2,1-2H3,(H,26,29)/p+1/t23-/m1/s1