N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-phenylsulfanyl-butanamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-phenylsulfanyl-butanamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-(phenylthio)butanamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-phenylsulfanylbutanamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-(phenylthio)butyramide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4OS/c1-23-11-13-24(14-12-23)19-10-9-17(16-21-19)22-20(25)8-5-15-26-18-6-3-2-4-7-18/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H,22,25)/p+1