N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylsulfanyl-butanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylsulfanyl-butanamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(phenylthio)butanamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylsulfanylbutanamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(phenylthio)butyramide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-23-13-15-24(16-14-23)19-11-9-18(10-12-19)22-21(25)8-5-17-26-20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-17H2,1H3,(H,22,25)/p+1