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

Systemtic Name: N,N-diethyl-2-[[(6R)-2-oxidanylidene-1-phenethyl-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-6-yl]oxy]ethanamide Openeye Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-6-yl]oxy]acetamide CAS Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-4-ium-6-yl]oxy]acetamide IUPAC Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-6-yl]oxy]acetamide Traditional Name: N,N-diethyl-2-[[(6R)-2-keto-1-phenethyl-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-6-yl]oxy]acetamide Formula: C29H38N5O3+ MolecularWeight: 504.64372

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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=CN3C4=CC=CC=N4

Isomeric SMILES

CCN(CC)C(=O)CO[C@H]1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C29H37N5O3/c1-3-32(4-2)29(36)23-37-26-20-31(19-25-13-10-17-34(25)27-14-8-9-16-30-27)22-28(35)33(21-26)18-15-24-11-6-5-7-12-24/h5-14,16-17,26H,3-4,15,18-23H2,1-2H3/p+1/t26-/m0/s1