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

Systemtic Name: N,N-diethyl-2-[[(6R)-4-[(1-methylpyrazol-4-yl)methyl]-2-oxidanylidene-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]ethanamide Openeye Name: N,N-diethyl-2-[[(6R)-4-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide CAS Name: N,N-diethyl-2-[[(6R)-4-[(1-methyl-4-pyrazolyl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide IUPAC Name: N,N-diethyl-2-[[(6R)-4-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide Traditional Name: N,N-diethyl-2-[[(6R)-2-keto-4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide Formula: C24H36N5O3+ MolecularWeight: 442.57434

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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=CN(N=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C24H35N5O3/c1-4-28(5-2)24(31)19-32-22-16-27(15-21-13-25-26(3)14-21)18-23(30)29(17-22)12-11-20-9-7-6-8-10-20/h6-10,13-14,22H,4-5,11-12,15-19H2,1-3H3/p+1/t22-/m0/s1