N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)-piperonyl-amine Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C18H21N3O5S/c1-20(12-14-2-4-16-17(10-14)26-13-25-16)18-5-3-15(11-19-18)27(22,23)21-6-8-24-9-7-21/h2-5,10-11H,6-9,12-13H2,1H3/p+1