N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)benzamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)benzamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]benzamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]benzamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]benzamide Formula: C21H25ClN3O4+ MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C21H24ClN3O4/c1-14-11-18(19(28-2)12-16(14)22)24-21(27)15-5-3-4-6-17(15)23-20(26)13-25-7-9-29-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)(H,24,27)/p+1