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

Systemtic Name: (2S)-7-chloranyl-2-methyl-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-7-chloro-2-methyl-4-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-7-chloro-2-methyl-4-(3-pyridinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-7-chloro-2-methyl-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-7-chloro-2-methyl-4-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C16H18ClN2O+ MolecularWeight: 289.77992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O/c1-12-9-19(10-13-3-2-6-18-8-13)11-14-7-15(17)4-5-16(14)20-12/h2-8,12H,9-11H2,1H3/p+1/t12-/m0/s1