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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=CC(=C2)Cl)CC3=C4C=CC=NC4=CC=C3

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)Cl)CC3=C4C=CC=NC4=CC=C3

InChI

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