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

Systemtic Name: (2S)-7-chloranyl-4-(furan-3-ylmethyl)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-7-chloro-4-(3-furylmethyl)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-7-chloro-4-(3-furanylmethyl)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-7-chloro-4-(furan-3-ylmethyl)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-7-chloro-4-(3-furfuryl)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C15H17ClNO2+ MolecularWeight: 278.75398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO2/c1-11-7-17(8-12-4-5-18-10-12)9-13-6-14(16)2-3-15(13)19-11/h2-6,10-11H,7-9H2,1H3/p+1/t11-/m0/s1