N-[3-methoxy-4-(3-morpholin-4-ium-4-ylpropoxy)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-methoxy-4-(3-morpholin-4-ium-4-ylpropoxy)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-methoxy-4-(3-morpholin-4-ium-4-ylpropoxy)phenyl]adamantane-1-carboxamide CAS Name: N-[3-methoxy-4-[3-(4-morpholin-4-iumyl)propoxy]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-methoxy-4-(3-morpholin-4-ium-4-ylpropoxy)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-methoxy-4-(3-morpholin-4-ium-4-ylpropoxy)phenyl]adamantane-1-carboxamide Formula: C25H37N2O4+ MolecularWeight: 429.57228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)OCCC[NH+]5CCOCC5

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)OCCC[NH+]5CCOCC5

InChI

InChI=1S/C25H36N2O4/c1-29-23-14-21(3-4-22(23)31-8-2-5-27-6-9-30-10-7-27)26-24(28)25-15-18-11-19(16-25)13-20(12-18)17-25/h3-4,14,18-20H,2,5-13,15-17H2,1H3,(H,26,28)/p+1