3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2S/c1-18-7-8-22(19(2)15-18)28-17-20-5-3-6-21(16-20)23(26)24-9-4-10-25-11-13-27-14-12-25/h3,5-8,15-16H,4,9-14,17H2,1-2H3,(H,24,26)/p+1