[4-(azepan-1-ylsulfonylamino)-1-methyl-piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [4-(azepan-1-ylsulfonylamino)-1-methyl-piperidin-1-ium-4-yl]methylazanium Openeye Name: [4-(azepan-1-ylsulfonylamino)-1-methyl-piperidin-1-ium-4-yl]methylammonium CAS Name: [4-(1-azepanylsulfonylamino)-1-methyl-4-piperidin-1-iumyl]methylammonium IUPAC Name: [4-(azepan-1-ylsulfonylamino)-1-methylpiperidin-1-ium-4-yl]methylazanium Traditional Name: [4-(azepan-1-ylsulfonylamino)-1-methyl-piperidin-1-ium-4-yl]methylammonium Formula: C13H30N4O2S+2 MolecularWeight: 306.4679

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C[NH3+])NS(=O)(=O)N2CCCCCC2

Isomeric SMILES

C[NH+]1CCC(CC1)(C[NH3+])NS(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C13H28N4O2S/c1-16-10-6-13(12-14,7-11-16)15-20(18,19)17-8-4-2-3-5-9-17/h15H,2-12,14H2,1H3/p+2