3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]propionamide Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)C

InChI

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