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

Systemtic Name: (2S)-7-chloranyl-2-methyl-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-7-chloro-2-methyl-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-7-chloro-2-methyl-4-(1-methyl-4-piperidin-1-iumyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-7-chloro-2-methyl-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-7-chloro-2-methyl-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C16H25ClN2O+2 MolecularWeight: 296.8355

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=CC(=C2)Cl)C3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)Cl)C3CC[NH+](CC3)C

InChI

InChI=1S/C16H23ClN2O/c1-12-10-19(15-5-7-18(2)8-6-15)11-13-9-14(17)3-4-16(13)20-12/h3-4,9,12,15H,5-8,10-11H2,1-2H3/p+2/t12-/m0/s1