4-(1-ethylpiperazin-1-ium-1-yl)-4-(4-ethylpiperazin-1-yl)-2-pyridin-2-ylsulfanyl-butanamide

Systemtic Name: 4-(1-ethylpiperazin-1-ium-1-yl)-4-(4-ethylpiperazin-1-yl)-2-pyridin-2-ylsulfanyl-butanamide Openeye Name: 4-(1-ethylpiperazin-1-ium-1-yl)-4-(4-ethylpiperazin-1-yl)-2-(2-pyridylsulfanyl)butanamide CAS Name: 4-(1-ethyl-1-piperazin-1-iumyl)-4-(4-ethyl-1-piperazinyl)-2-(2-pyridinylthio)butanamide IUPAC Name: 4-(1-ethylpiperazin-1-ium-1-yl)-4-(4-ethylpiperazin-1-yl)-2-pyridin-2-ylsulfanylbutanamide Traditional Name: 4-(1-ethylpiperazin-1-ium-1-yl)-4-(4-ethylpiperazino)-2-(2-pyridylthio)butyramide Formula: C21H37N6OS+ MolecularWeight: 421.62308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(CC(C(=O)N)SC2=CC=CC=N2)[N+]3(CCNCC3)CC

Isomeric SMILES

CCN1CCN(CC1)C(CC(C(=O)N)SC2=CC=CC=N2)[N+]3(CCNCC3)CC

InChI

InChI=1S/C21H36N6OS/c1-3-25-11-13-26(14-12-25)20(27(4-2)15-9-23-10-16-27)17-18(21(22)28)29-19-7-5-6-8-24-19/h5-8,18,20,23H,3-4,9-17H2,1-2H3,(H-,22,28)/p+1