3-bromanyl-5-ethoxy-4-methoxy-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide

Systemtic Name: 3-bromanyl-5-ethoxy-4-methoxy-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Openeye Name: 3-bromo-5-ethoxy-4-methoxy-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide CAS Name: 3-bromo-5-ethoxy-4-methoxy-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 3-bromo-5-ethoxy-4-methoxy-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Traditional Name: 3-bromo-5-ethoxy-4-methoxy-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Formula: C21H32BrN2O4+ MolecularWeight: 456.39378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)NCC2(CCCCC2)[NH+]3CCOCC3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)NCC2(CCCCC2)[NH+]3CCOCC3)Br)OC

InChI

InChI=1S/C21H31BrN2O4/c1-3-28-18-14-16(13-17(22)19(18)26-2)20(25)23-15-21(7-5-4-6-8-21)24-9-11-27-12-10-24/h13-14H,3-12,15H2,1-2H3,(H,23,25)/p+1