N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C21H26ClN2O2S+ MolecularWeight: 405.96134

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O2S/c22-20-7-3-18(4-8-20)16-27-14-9-23-21(25)19-5-1-17(2-6-19)15-24-10-12-26-13-11-24/h1-8H,9-16H2,(H,23,25)/p+1