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

Systemtic Name: 4-azanyl-N-[[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]benzenesulfonamide Openeye Name: 4-amino-N-[[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]benzenesulfonamide CAS Name: 4-amino-N-[[2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl]benzenesulfonamide IUPAC Name: 4-amino-N-[[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]benzenesulfonamide Traditional Name: 4-amino-N-[2-(2-piperidin-1-ium-1-ylethoxy)benzyl]benzenesulfonamide Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C20H27N3O3S/c21-18-8-10-19(11-9-18)27(24,25)22-16-17-6-2-3-7-20(17)26-15-14-23-12-4-1-5-13-23/h2-3,6-11,22H,1,4-5,12-16,21H2/p+1