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

Systemtic Name: 2-[[(6R)-4-(cyclopropylmethyl)-2-oxidanylidene-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]-N,N-diethyl-ethanamide Openeye Name: 2-[[(6R)-4-(cyclopropylmethyl)-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]-N,N-diethyl-acetamide CAS Name: 2-[[(6R)-4-(cyclopropylmethyl)-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]-N,N-diethylacetamide IUPAC Name: 2-[[(6R)-4-(cyclopropylmethyl)-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]-N,N-diethylacetamide Traditional Name: 2-[[(6R)-4-(cyclopropylmethyl)-2-keto-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]-N,N-diethyl-acetamide Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)CC3CC3

Isomeric SMILES

CCN(CC)C(=O)CO[C@H]1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)CC3CC3

InChI

InChI=1S/C23H35N3O3/c1-3-25(4-2)23(28)18-29-21-15-24(14-20-10-11-20)17-22(27)26(16-21)13-12-19-8-6-5-7-9-19/h5-9,20-21H,3-4,10-18H2,1-2H3/p+1/t21-/m0/s1