[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl-piperidin-1-ium-1-ylsulfonyl-azanide

Systemtic Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl-piperidin-1-ium-1-ylsulfonyl-azanide Openeye Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl-piperidin-1-ium-1-ylsulfonyl-azanide CAS Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridin-1-iumyl]methyl-(1-piperidin-1-iumylsulfonyl)azanide IUPAC Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl-piperidin-1-ium-1-ylsulfonylazanide Traditional Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl-piperidin-1-ium-1-ylsulfonyl-azanide Formula: C17H31N5O2S+2 MolecularWeight: 369.52534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=[NH+]2)C[N-]S(=O)(=O)[NH+]3CCCCC3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=[NH+]2)C[N-]S(=O)(=O)[NH+]3CCCCC3

InChI

InChI=1S/C17H28N5O2S/c1-20-9-6-10-21(14-13-20)17-16(7-5-8-18-17)15-19-25(23,24)22-11-3-2-4-12-22/h5,7-8H,2-4,6,9-15H2,1H3/q-1/p+3