N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-propyl-benzenesulfonamide Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-4-propyl-benzenesulfonamide CAS Name: N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-propylbenzenesulfonamide IUPAC Name: N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-4-propylbenzenesulfonamide Traditional Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-4-propyl-benzenesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H30N2O3S/c1-3-4-19-7-11-21(12-8-19)28(25,26)23-22(17-24-13-15-27-16-14-24)20-9-5-18(2)6-10-20/h5-12,22-23H,3-4,13-17H2,1-2H3/p+1/t22-/m1/s1