N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C27H31ClN3OS+ MolecularWeight: 481.07254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H30ClN3OS/c28-25-12-8-23(9-13-25)21-33-19-14-29-27(32)24-10-6-22(7-11-24)20-30-15-17-31(18-16-30)26-4-2-1-3-5-26/h1-13H,14-21H2,(H,29,32)/p+1