1-methyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)-1,4-diazepan-1-ium Formula: C15H26N4O2S+2 MolecularWeight: 326.45754

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C15H24N4O2S/c1-17-7-4-8-18(12-11-17)15-6-5-14(13-16-15)22(20,21)19-9-2-3-10-19/h5-6,13H,2-4,7-12H2,1H3/p+2