(4-methylsulfanylphenyl)-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (4-methylsulfanylphenyl)-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: [4-(methylthio)phenyl]-[7-(4-morpholin-4-iumylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: [4-(methylthio)phenyl]-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C22H27N2O3S+ MolecularWeight: 399.52638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H26N2O3S/c1-28-20-5-3-18(4-6-20)22(25)24-10-13-27-21-7-2-17(14-19(21)16-24)15-23-8-11-26-12-9-23/h2-7,14H,8-13,15-16H2,1H3/p+1