4-(methylsulfanylmethyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(methylsulfanylmethyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(methylsulfanylmethyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[(methylthio)methyl]-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(methylsulfanylmethyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[(methylthio)methyl]-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

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