(2S)-2-methyl-4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-2-methyl-4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-methyl-4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-methyl-4-(5-quinoxalinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-methyl-4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-methyl-4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C19H20N3O+ MolecularWeight: 306.3816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)CC3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)CC3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C19H19N3O/c1-14-11-22(12-15-5-2-3-8-18(15)23-14)13-16-6-4-7-17-19(16)21-10-9-20-17/h2-10,14H,11-13H2,1H3/p+1/t14-/m0/s1