4-[(4-methylphenyl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(p-tolylsulfanylmethyl)benzamide CAS Name: 4-[[(4-methylphenyl)thio]methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(p-tolylthio)methyl]benzamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3

InChI

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