2,4,6-trimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide

Systemtic Name: 2,4,6-trimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Openeye Name: 2,4,6-trimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide CAS Name: 2,4,6-trimethyl-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzenesulfonamide IUPAC Name: 2,4,6-trimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide Traditional Name: 2,4,6-trimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H28N2O3S/c1-16-13-17(2)21(18(3)14-16)27(24,25)22-20(19-7-5-4-6-8-19)15-23-9-11-26-12-10-23/h4-8,13-14,20,22H,9-12,15H2,1-3H3/p+1/t20-/m1/s1