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

Systemtic Name: N,N-diethyl-2-[[(6R)-4-[(4-hydroxyphenyl)methyl]-2-oxidanylidene-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]ethanamide Openeye Name: N,N-diethyl-2-[[(6R)-4-[(4-hydroxyphenyl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide CAS Name: N,N-diethyl-2-[[(6R)-4-[(4-hydroxyphenyl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide IUPAC Name: N,N-diethyl-2-[[(6R)-4-[(4-hydroxyphenyl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide Traditional Name: N,N-diethyl-2-[[(6R)-4-(4-hydroxybenzyl)-2-keto-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide Formula: C26H36N3O4+ MolecularWeight: 454.58174

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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)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)O

InChI

InChI=1S/C26H35N3O4/c1-3-28(4-2)26(32)20-33-24-17-27(16-22-10-12-23(30)13-11-22)19-25(31)29(18-24)15-14-21-8-6-5-7-9-21/h5-13,24,30H,3-4,14-20H2,1-2H3/p+1/t24-/m0/s1