4-ethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-ethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 4-ethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 4-ethyl-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-ethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-ethyl-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H26N2O3S/c1-2-17-7-9-20(10-8-17)26(23,24)21-15-18-3-5-19(6-4-18)16-22-11-13-25-14-12-22/h3-10,21H,2,11-16H2,1H3/p+1