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

Systemtic Name: dimethyl-[[2-[[(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[(5-piperidinosulfonylpyridin-1-ium-2-yl)amino]methyl]benzyl]ammonium Formula: C20H30N4O2S+2 MolecularWeight: 390.5428

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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)N3CCCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H28N4O2S/c1-23(2)16-18-9-5-4-8-17(18)14-21-20-11-10-19(15-22-20)27(25,26)24-12-6-3-7-13-24/h4-5,8-11,15H,3,6-7,12-14,16H2,1-2H3,(H,21,22)/p+2