5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyridin-2-amine

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyridin-2-amine Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyridin-2-amine CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-pyridinamine IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyridin-2-amine Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-[(6-morpholinopyridin-1-ium-3-yl)methyl]amine Formula: C20H30N6O3S+2 MolecularWeight: 434.5556

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C20H28N6O3S/c1-24-6-8-26(9-7-24)30(27,28)18-3-4-19(22-16-18)21-14-17-2-5-20(23-15-17)25-10-12-29-13-11-25/h2-5,15-16H,6-14H2,1H3,(H,21,22)/p+2