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

Systemtic Name: N,N-diethyl-2-[[(6R)-2-oxidanylidene-1-phenethyl-4-[(3R)-thiolan-3-yl]-1,4-diazepan-4-ium-6-yl]oxy]ethanamide Openeye Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-[(3R)-tetrahydrothiophen-3-yl]-1,4-diazepan-4-ium-6-yl]oxy]acetamide CAS Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-[(3R)-3-thiolanyl]-1,4-diazepan-4-ium-6-yl]oxy]acetamide IUPAC Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-[(3R)-thiolan-3-yl]-1,4-diazepan-4-ium-6-yl]oxy]acetamide Traditional Name: N,N-diethyl-2-[[(6R)-2-keto-1-phenethyl-4-[(3R)-tetrahydrothiophen-3-yl]-1,4-diazepan-4-ium-6-yl]oxy]acetamide Formula: C23H36N3O3S+ MolecularWeight: 434.61524

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)C3CCSC3

Isomeric SMILES

CCN(CC)C(=O)CO[C@H]1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)[C@@H]3CCSC3

InChI

InChI=1S/C23H35N3O3S/c1-3-24(4-2)23(28)17-29-21-14-25(12-10-19-8-6-5-7-9-19)22(27)16-26(15-21)20-11-13-30-18-20/h5-9,20-21H,3-4,10-18H2,1-2H3/p+1/t20-,21-/m1/s1