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

Systemtic Name: (2S)-2-methyl-4-(quinolin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-methyl-4-(5-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-methyl-4-(5-quinolinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-methyl-4-(quinolin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-methyl-4-(5-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H21N2O+ MolecularWeight: 305.39354

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)CC3=C4C=CC=NC4=CC=C3

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)CC3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C20H20N2O/c1-15-12-22(14-17-6-2-3-10-20(17)23-15)13-16-7-4-9-19-18(16)8-5-11-21-19/h2-11,15H,12-14H2,1H3/p+1/t15-/m0/s1