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

Systemtic Name: N,N-diethyl-2-[[(6R)-2-oxidanylidene-1-phenethyl-4-(quinolin-4-ylmethyl)-1,4-diazepan-4-ium-6-yl]oxy]ethanamide Openeye Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-(4-quinolylmethyl)-1,4-diazepan-4-ium-6-yl]oxy]acetamide CAS Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-(4-quinolinylmethyl)-1,4-diazepan-4-ium-6-yl]oxy]acetamide IUPAC Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-(quinolin-4-ylmethyl)-1,4-diazepan-4-ium-6-yl]oxy]acetamide Traditional Name: N,N-diethyl-2-[[(6R)-2-keto-1-phenethyl-4-(4-quinolylmethyl)-1,4-diazepan-4-ium-6-yl]oxy]acetamide Formula: C29H37N4O3+ MolecularWeight: 489.62908

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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=CC=NC4=CC=CC=C34

Isomeric SMILES

CCN(CC)C(=O)CO[C@H]1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)CC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C29H36N4O3/c1-3-32(4-2)29(35)22-36-25-19-31(18-24-14-16-30-27-13-9-8-12-26(24)27)21-28(34)33(20-25)17-15-23-10-6-5-7-11-23/h5-14,16,25H,3-4,15,17-22H2,1-2H3/p+1/t25-/m0/s1