2-(4-methoxyphenyl)sulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide Openeye Name: 2-(4-methoxyphenyl)sulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide CAS Name: 2-[(4-methoxyphenyl)thio]-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]acetamide IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide Traditional Name: 2-[(4-methoxyphenyl)thio]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-25-18-7-9-19(10-8-18)27-16-21(24)22-20(17-5-3-2-4-6-17)15-23-11-13-26-14-12-23/h2-10,20H,11-16H2,1H3,(H,22,24)/p+1/t20-/m1/s1