N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-propan-2-yl-benzenesulfonamide Openeye Name: 4-isopropyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-propan-2-ylbenzenesulfonamide Traditional Name: 4-isopropyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C21H28N2O3S/c1-17(2)18-7-9-21(10-8-18)27(24,25)22-15-19-5-3-4-6-20(19)16-23-11-13-26-14-12-23/h3-10,17,22H,11-16H2,1-2H3/p+1