3-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCSC3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCSC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H31N3OS/c1-4-25-12-14-26(15-13-25)22-8-6-5-7-21(22)24-23(27)11-16-28-20-10-9-18(2)19(3)17-20/h5-10,17H,4,11-16H2,1-3H3,(H,24,27)/p+1