dimethyl-[[2-[[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]methyl]benzyl]ammonium Formula: C19H28N4O2S+2 MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H26N4O2S/c1-22(2)15-17-8-4-3-7-16(17)13-20-19-10-9-18(14-21-19)26(24,25)23-11-5-6-12-23/h3-4,7-10,14H,5-6,11-13,15H2,1-2H3,(H,20,21)/p+2