N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenylsulfanyl-propanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(phenylthio)propanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenylsulfanylpropanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(phenylthio)propionamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-2-23-13-15-24(16-14-23)19-10-8-18(9-11-19)22-21(25)12-17-26-20-6-4-3-5-7-20/h3-11H,2,12-17H2,1H3,(H,22,25)/p+1