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

Systemtic Name: 7-chloranyl-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-chloro-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-chloro-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-chloro-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-chloro-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C13H15ClN3O+ MolecularWeight: 264.7307

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC=NN3)C=C(C=C2)Cl

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC=NN3)C=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3O/c14-11-1-2-13-10(7-11)8-17(5-6-18-13)9-12-3-4-15-16-12/h1-4,7H,5-6,8-9H2,(H,15,16)/p+1