8-chloranyl-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzoxazepine

Systemtic Name: 8-chloranyl-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzoxazepine Openeye Name: 8-chloro-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzoxazepine CAS Name: 8-chloro-6-(1-piperazin-4-iumyl)benzo[b][1,4]benzoxazepine IUPAC Name: 8-chloro-6-piperazin-4-ium-1-ylbenzo[b][1,4]benzoxazepine Traditional Name: 8-chloro-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzoxazepine Formula: C17H17ClN3O+ MolecularWeight: 314.78938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2/p+1