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

Systemtic Name: 2-[[(6R)-4-cyclopentyl-2-oxidanylidene-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]-N,N-diethyl-ethanamide Openeye Name: 2-[[(6R)-4-cyclopentyl-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]-N,N-diethyl-acetamide CAS Name: 2-[[(6R)-4-cyclopentyl-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]-N,N-diethylacetamide IUPAC Name: 2-[[(6R)-4-cyclopentyl-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]-N,N-diethylacetamide Traditional Name: 2-[[(6R)-4-cyclopentyl-2-keto-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]-N,N-diethyl-acetamide Formula: C24H38N3O3+ MolecularWeight: 416.57682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)C3CCCC3

Isomeric SMILES

CCN(CC)C(=O)CO[C@H]1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)C3CCCC3

InChI

InChI=1S/C24H37N3O3/c1-3-25(4-2)24(29)19-30-22-16-26(15-14-20-10-6-5-7-11-20)23(28)18-27(17-22)21-12-8-9-13-21/h5-7,10-11,21-22H,3-4,8-9,12-19H2,1-2H3/p+1/t22-/m1/s1