(3R)-3-[2-(7-chloranyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethyl]-4-methyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(7-chloranyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethyl]-4-methyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxo-ethyl]-4-methyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-4-methyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-4-methylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-keto-ethyl]-4-methyl-piperazin-4-ium-2-one Formula: C16H21ClN3O3+ MolecularWeight: 338.80924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCNC(=O)C1CC(=O)N2CCOC3=C(C2)C=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCOC3=C(C2)C=C(C=C3)Cl

InChI

InChI=1S/C16H20ClN3O3/c1-19-5-4-18-16(22)13(19)9-15(21)20-6-7-23-14-3-2-12(17)8-11(14)10-20/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,22)/p+1/t13-/m1/s1