(2S)-8-chloranyl-2-ethyl-4-(furan-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-8-chloranyl-2-ethyl-4-(furan-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-8-chloro-2-ethyl-4-(2-furylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-8-chloro-2-ethyl-4-(2-furanylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-8-chloro-2-ethyl-4-(furan-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-8-chloro-2-ethyl-4-(2-furfuryl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C16H19ClNO2+ MolecularWeight: 292.78056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=C(C=C2)Cl)CC3=CC=CO3

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)Cl)CC3=CC=CO3

InChI

InChI=1S/C16H18ClNO2/c1-2-14-10-18(11-15-4-3-7-19-15)9-12-5-6-13(17)8-16(12)20-14/h3-8,14H,2,9-11H2,1H3/p+1/t14-/m0/s1