(2S)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-phenylsulfanyl-propanamide

Systemtic Name: (2S)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-(phenylthio)propanamide IUPAC Name: (2S)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-2-(phenylthio)propionamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C[NH+]2CCOCC2)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)C[NH+]2CCOCC2)SC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-17(26-20-5-3-2-4-6-20)21(24)22-15-18-7-9-19(10-8-18)16-23-11-13-25-14-12-23/h2-10,17H,11-16H2,1H3,(H,22,24)/p+1/t17-/m0/s1