2,4,6-trimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2,4,6-trimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2,4,6-trimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2,4,6-trimethyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2,4,6-trimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2,4,6-trimethyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]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)NCC2=CC=CC=C2C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)C

InChI

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