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

Systemtic Name: (2S)-8-chloranyl-4-(cyclopropylmethyl)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-8-chloro-4-(cyclopropylmethyl)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-8-chloro-4-(cyclopropylmethyl)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-8-chloro-4-(cyclopropylmethyl)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-8-chloro-4-(cyclopropylmethyl)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C15H21ClNO+ MolecularWeight: 266.78634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=C(C=C2)Cl)CC3CC3

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)Cl)CC3CC3

InChI

InChI=1S/C15H20ClNO/c1-2-14-10-17(8-11-3-4-11)9-12-5-6-13(16)7-15(12)18-14/h5-7,11,14H,2-4,8-10H2,1H3/p+1/t14-/m0/s1