N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]amine Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N(C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N(C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H26N4O4S/c1-22-7-9-24(10-8-22)29(25,26)17-4-6-20(21-14-17)23(2)15-16-3-5-18-19(13-16)28-12-11-27-18/h3-6,13-14H,7-12,15H2,1-2H3/p+1