5-bromanyl-2-methoxy-3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[4-(4-morpholin-4-iumylmethyl)phenyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)OC

InChI

InChI=1S/C20H23BrN2O3/c1-14-11-16(21)12-18(19(14)25-2)20(24)22-17-5-3-15(4-6-17)13-23-7-9-26-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24)/p+1