8-chloranyl-1-ethyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one

Systemtic Name: 8-chloranyl-1-ethyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Openeye Name: 8-chloro-1-ethyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one CAS Name: 8-chloro-1-ethyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one IUPAC Name: 8-chloro-1-ethyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Traditional Name: 8-chloro-1-ethyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Formula: C18H18ClN2O+ MolecularWeight: 313.80132

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=CC(=CC2=C(NCCC1=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC[N+]1=C2C=CC(=CC2=C(NCCC1=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C18H17ClN2O/c1-2-21-16-9-8-14(19)12-15(16)18(20-11-10-17(21)22)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3/p+1