[4-(8-chloranyl-5,11-dihydro-[1]benzoxepino[4,3-b]pyridin-11-yl)piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone

Systemtic Name: [4-(8-chloranyl-5,11-dihydro-[1]benzoxepino[4,3-b]pyridin-11-yl)piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone Openeye Name: [4-(8-chloro-5,11-dihydro-[1]benzoxepino[4,3-b]pyridin-11-yl)piperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone CAS Name: [4-(8-chloro-5,11-dihydro-[1]benzoxepino[4,3-b]pyridin-11-yl)-1-piperazinyl]-(1-oxido-4-pyridin-1-iumyl)methanone IUPAC Name: [4-(8-chloro-5,11-dihydro-[1]benzoxepino[4,3-b]pyridin-11-yl)piperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone Traditional Name: [4-(8-chloro-5,11-dihydro-[1]benzoxepino[4,3-b]pyridin-11-yl)piperazino]-(1-oxidopyridin-1-ium-4-yl)methanone Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3=C(C=C(C=C3)Cl)OCC4=C2N=CC=C4)C(=O)C5=CC=[N+](C=C5)[O-]

Isomeric SMILES

C1CN(CCN1C2C3=C(C=C(C=C3)Cl)OCC4=C2N=CC=C4)C(=O)C5=CC=[N+](C=C5)[O-]

InChI

InChI=1S/C23H21ClN4O3/c24-18-3-4-19-20(14-18)31-15-17-2-1-7-25-21(17)22(19)26-10-12-27(13-11-26)23(29)16-5-8-28(30)9-6-16/h1-9,14,22H,10-13,15H2