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

Systemtic Name: (2S)-8-chloranyl-2-ethyl-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-8-chloro-2-ethyl-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-8-chloro-2-ethyl-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-8-chloro-2-ethyl-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-8-chloro-2-ethyl-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C15H19ClN3O+ MolecularWeight: 292.78386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=C(C=C2)Cl)CC3=CC=NN3

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)Cl)CC3=CC=NN3

InChI

InChI=1S/C15H18ClN3O/c1-2-14-10-19(9-13-5-6-17-18-13)8-11-3-4-12(16)7-15(11)20-14/h3-7,14H,2,8-10H2,1H3,(H,17,18)/p+1/t14-/m0/s1