2,5-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

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