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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H23BrN2O3/c1-25-17-6-7-19(21)18(12-17)20(24)22-13-15-2-4-16(5-3-15)14-23-8-10-26-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)/p+1