3-bromanyl-4-methoxy-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzenesulfonamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzenesulfonamide Openeye Name: 3-bromo-4-methoxy-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzenesulfonamide CAS Name: 3-bromo-4-methoxy-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzenesulfonamide IUPAC Name: 3-bromo-4-methoxy-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzenesulfonamide Traditional Name: 3-bromo-4-methoxy-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzenesulfonamide Formula: C18H28BrN2O4S+ MolecularWeight: 448.39492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2(CCCCC2)[NH+]3CCOCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2(CCCCC2)[NH+]3CCOCC3)Br

InChI

InChI=1S/C18H27BrN2O4S/c1-24-17-6-5-15(13-16(17)19)26(22,23)20-14-18(7-3-2-4-8-18)21-9-11-25-12-10-21/h5-6,13,20H,2-4,7-12,14H2,1H3/p+1