2-methyl-5-methylsulfonyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-methyl-5-methylsulfonyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methyl-5-methylsulfonyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-methyl-5-methylsulfonyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methyl-5-methylsulfonyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 5-mesyl-2-methyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-16-7-8-19(28(2,25)26)13-20(16)21(24)22-14-17-5-3-4-6-18(17)15-23-9-11-27-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)/p+1