N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C19H32N3O4S2+ MolecularWeight: 430.60508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H31N3O4S2/c1-17-9-15-21(16-10-17)12-4-11-20-27(23,24)18-5-7-19(8-6-18)28(25,26)22-13-2-3-14-22/h5-8,17,20H,2-4,9-16H2,1H3/p+1