N,N-diethyl-2-[[(6R)-4-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2-oxidanylidene-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]ethanamide

Systemtic Name: N,N-diethyl-2-[[(6R)-4-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2-oxidanylidene-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]ethanamide Openeye Name: N,N-diethyl-2-[[(6R)-4-[(3-hydroxy-4-methoxy-phenyl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide CAS Name: N,N-diethyl-2-[[(6R)-4-[(3-hydroxy-4-methoxyphenyl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide IUPAC Name: N,N-diethyl-2-[[(6R)-4-[(3-hydroxy-4-methoxyphenyl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide Traditional Name: N,N-diethyl-2-[[(6R)-4-(3-hydroxy-4-methoxy-benzyl)-2-keto-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide Formula: C27H38N3O5+ MolecularWeight: 484.60772

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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(=C(C=C3)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O5/c1-4-29(5-2)27(33)20-35-23-17-28(16-22-11-12-25(34-3)24(31)15-22)19-26(32)30(18-23)14-13-21-9-7-6-8-10-21/h6-12,15,23,31H,4-5,13-14,16-20H2,1-3H3/p+1/t23-/m0/s1