4-[4,5-bis(oxidanylidene)-1-(2-piperidin-1-ium-1-ylethyl)-2-pyridin-1-ium-3-yl-pyrrolidin-3-yl]carbonyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[4,5-bis(oxidanylidene)-1-(2-piperidin-1-ium-1-ylethyl)-2-pyridin-1-ium-3-yl-pyrrolidin-3-yl]carbonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[4,5-dioxo-1-(2-piperidin-1-ium-1-ylethyl)-2-pyridin-1-ium-3-yl-pyrrolidine-3-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[[4,5-dioxo-1-[2-(1-piperidin-1-iumyl)ethyl]-2-(3-pyridin-1-iumyl)-3-pyrrolidinyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[4,5-dioxo-1-(2-piperidin-1-ium-1-ylethyl)-2-pyridin-1-ium-3-ylpyrrolidine-3-carbonyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[4,5-diketo-1-(2-piperidin-1-ium-1-ylethyl)-2-pyridin-1-ium-3-yl-pyrrolidine-3-carbonyl]-N,N-dimethyl-benzenesulfonamide Formula: C25H32N4O5S+2 MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC[NH+]3CCCCC3)C4=C[NH+]=CC=C4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC[NH+]3CCCCC3)C4=C[NH+]=CC=C4

InChI

InChI=1S/C25H30N4O5S/c1-27(2)35(33,34)20-10-8-18(9-11-20)23(30)21-22(19-7-6-12-26-17-19)29(25(32)24(21)31)16-15-28-13-4-3-5-14-28/h6-12,17,21-22H,3-5,13-16H2,1-2H3/p+2