N,N-dimethyl-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-4-pyrrolidin-1-yl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-4-pyrrolidin-1-yl-benzenesulfonamide Openeye Name: N,N-dimethyl-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-4-pyrrolidin-1-yl-benzenesulfonamide CAS Name: N,N-dimethyl-3-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]-4-(1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-4-pyrrolidin-1-ylbenzenesulfonamide Traditional Name: N,N-dimethyl-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-4-pyrrolidino-benzenesulfonamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O4S/c1-26(2)34(31,32)22-10-11-24(28-12-6-7-13-28)23(20-22)25(30)29-16-14-27(15-17-29)18-19-33-21-8-4-3-5-9-21/h3-5,8-11,20H,6-7,12-19H2,1-2H3/p+1