4-azanyl-N-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-azanyl-N-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]benzenesulfonamide Openeye Name: 4-amino-N-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]benzenesulfonamide CAS Name: 4-amino-N-[[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl]benzenesulfonamide IUPAC Name: 4-amino-N-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]benzenesulfonamide Traditional Name: 4-amino-N-[3-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]benzenesulfonamide Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C19H25N3O3S/c20-17-6-8-19(9-7-17)26(23,24)21-15-16-4-3-5-18(14-16)25-13-12-22-10-1-2-11-22/h3-9,14,21H,1-2,10-13,15,20H2/p+1