(3R)-3-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethyl]-4-phenethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxo-ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-keto-ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C23H28N3O3+ MolecularWeight: 394.48672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCOC3=CC=CC=C3C2)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCOC3=CC=CC=C3C2)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c27-22(26-14-15-29-21-9-5-4-8-19(21)17-26)16-20-23(28)24-11-13-25(20)12-10-18-6-2-1-3-7-18/h1-9,20H,10-17H2,(H,24,28)/p+1/t20-/m1/s1