N,N-diethyl-2-[[(6R)-2-oxidanylidene-1-phenethyl-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-6-yl]oxy]ethanamide

Systemtic Name: N,N-diethyl-2-[[(6R)-2-oxidanylidene-1-phenethyl-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-6-yl]oxy]ethanamide Openeye Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-(3-pyridylmethyl)-1,4-diazepan-4-ium-6-yl]oxy]acetamide CAS Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-(3-pyridinylmethyl)-1,4-diazepan-4-ium-6-yl]oxy]acetamide IUPAC Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-6-yl]oxy]acetamide Traditional Name: N,N-diethyl-2-[[(6R)-2-keto-1-phenethyl-4-(3-pyridylmethyl)-1,4-diazepan-4-ium-6-yl]oxy]acetamide Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

CCN(CC)C(=O)CO[C@H]1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C25H34N4O3/c1-3-28(4-2)25(31)20-32-23-17-27(16-22-11-8-13-26-15-22)19-24(30)29(18-23)14-12-21-9-6-5-7-10-21/h5-11,13,15,23H,3-4,12,14,16-20H2,1-2H3/p+1/t23-/m0/s1