8-chloranyl-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzoxazepin-2-ol

Systemtic Name: 8-chloranyl-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzoxazepin-2-ol Openeye Name: 8-chloro-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzoxazepin-2-ol CAS Name: 8-chloro-6-(1-piperazin-4-iumyl)-2-benzo[b][1,4]benzoxazepinol IUPAC Name: 8-chloro-6-piperazin-4-ium-1-ylbenzo[b][1,4]benzoxazepin-2-ol Traditional Name: 8-chloro-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzoxazepin-2-ol Formula: C17H17ClN3O2+ MolecularWeight: 330.78878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=C(C=C(C=C3)O)OC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=C(C=C(C=C3)O)OC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C17H16ClN3O2/c18-11-1-4-15-13(9-11)17(21-7-5-19-6-8-21)20-14-3-2-12(22)10-16(14)23-15/h1-4,9-10,19,22H,5-8H2/p+1