4-bromanyl-3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 4-bromo-3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 4-bromo-3-methyl-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-bromo-3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C19H24BrN2O3S+ MolecularWeight: 440.37446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O3S/c1-15-12-18(6-7-19(15)20)26(23,24)21-13-16-2-4-17(5-3-16)14-22-8-10-25-11-9-22/h2-7,12,21H,8-11,13-14H2,1H3/p+1