2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(benzofuran-2-yl)ethyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[(1R)-1-(2-benzofuranyl)ethyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(benzofuran-2-yl)ethyl]acetamide Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H33N3O3/c1-18(22-16-20-8-4-5-9-21(20)30-22)25-23(28)17-26-14-10-19(11-15-26)24(29)27-12-6-2-3-7-13-27/h4-5,8-9,16,18-19H,2-3,6-7,10-15,17H2,1H3,(H,25,28)/p+1/t18-/m1/s1