5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridin-2-amine

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridin-2-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyridinamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]amine Formula: C22H33N5O2S+2 MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H31N5O2S/c1-25-13-15-27(16-14-25)30(28,29)21-7-8-22(23-17-21)24-20-9-11-26(12-10-20)18-19-5-3-2-4-6-19/h2-8,17,20H,9-16,18H2,1H3,(H,23,24)/p+2