N-methyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-2,1,3-benzothiadiazole-4-carboxamide

Systemtic Name: N-methyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-2,1,3-benzothiadiazole-4-carboxamide Openeye Name: N-methyl-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-2,1,3-benzothiadiazole-4-carboxamide CAS Name: N-methyl-N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-2,1,3-benzothiadiazole-4-carboxamide IUPAC Name: N-methyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-2,1,3-benzothiadiazole-4-carboxamide Traditional Name: N-methyl-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]piazthiole-4-carboxamide Formula: C18H20N5O2S+ MolecularWeight: 370.4487

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=[NH+]C=C1)N2CCOCC2)C(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CN(CC1=CC(=[NH+]C=C1)N2CCOCC2)C(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H19N5O2S/c1-22(18(24)14-3-2-4-15-17(14)21-26-20-15)12-13-5-6-19-16(11-13)23-7-9-25-10-8-23/h2-6,11H,7-10,12H2,1H3/p+1