2,1,3-benzothiadiazol-5-ylmethyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]-(piazthiol-5-ylmethyl)ammonium Formula: C20H28N4OS+2 MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C20H26N4OS/c1-15-3-5-18(25-15)14-24-9-7-16(8-10-24)12-23(2)13-17-4-6-19-20(11-17)22-26-21-19/h3-6,11,16H,7-10,12-14H2,1-2H3/p+2