2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[4-(4-ethoxyphenoxy)phenyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[4-(4-ethoxyphenoxy)phenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(4-ethoxyphenoxy)phenyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[4-(4-ethoxyphenoxy)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(4-ethoxyphenoxy)phenyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(4-ethoxyphenoxy)phenyl]acetamide Formula: C28H38N3O4+ MolecularWeight: 480.61902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C28H37N3O4/c1-2-34-24-11-13-26(14-12-24)35-25-9-7-23(8-10-25)29-27(32)21-30-19-15-22(16-20-30)28(33)31-17-5-3-4-6-18-31/h7-14,22H,2-6,15-21H2,1H3,(H,29,32)/p+1