(2S)-7-chloranyl-2-methyl-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-7-chloranyl-2-methyl-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-7-chloro-2-methyl-4-(8-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-7-chloro-2-methyl-4-(8-quinolinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-7-chloro-2-methyl-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-7-chloro-2-methyl-4-(8-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H20ClN2O+ MolecularWeight: 339.8386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=CC(=C2)Cl)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)Cl)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H19ClN2O/c1-14-11-23(13-17-10-18(21)7-8-19(17)24-14)12-16-5-2-4-15-6-3-9-22-20(15)16/h2-10,14H,11-13H2,1H3/p+1/t14-/m0/s1