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

Systemtic Name: 1-methyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-(5-pyrrolidinosulfonyl-2-pyridyl)-1,4-diazepan-1-ium Formula: C15H25N4O2S+ MolecularWeight: 325.4496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC=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+1