N-[2,5-dimethoxy-4-(2-morpholin-4-ium-4-ylethanoylamino)phenyl]-2-methyl-benzamide

Systemtic Name: N-[2,5-dimethoxy-4-(2-morpholin-4-ium-4-ylethanoylamino)phenyl]-2-methyl-benzamide Openeye Name: N-[2,5-dimethoxy-4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]-2-methyl-benzamide CAS Name: N-[2,5-dimethoxy-4-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[2,5-dimethoxy-4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]-2-methylbenzamide Traditional Name: N-[2,5-dimethoxy-4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]-2-methyl-benzamide Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2OC)NC(=O)C[NH+]3CCOCC3)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2OC)NC(=O)C[NH+]3CCOCC3)OC

InChI

InChI=1S/C22H27N3O5/c1-15-6-4-5-7-16(15)22(27)24-18-13-19(28-2)17(12-20(18)29-3)23-21(26)14-25-8-10-30-11-9-25/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)(H,24,27)/p+1