11-chloranyl-4-ethanoyl-4-oxidanidyl-1,2,3,5,6,7-hexahydro-4-benzazecin-4-ium-8-one

Systemtic Name: 11-chloranyl-4-ethanoyl-4-oxidanidyl-1,2,3,5,6,7-hexahydro-4-benzazecin-4-ium-8-one Openeye Name: 4-acetyl-11-chloro-4-oxido-1,2,3,5,6,7-hexahydro-4-benzazecin-4-ium-8-one CAS Name: 4-acetyl-11-chloro-4-oxido-1,2,3,5,6,7-hexahydro-4-benzazecin-4-ium-8-one IUPAC Name: 4-acetyl-11-chloro-4-oxido-1,2,3,5,6,7-hexahydro-4-benzazecin-4-ium-8-one Traditional Name: 4-acetyl-11-chloro-4-oxido-1,2,3,5,6,7-hexahydro-4-benzazecin-4-ium-8-one Formula: C15H18ClNO3 MolecularWeight: 295.76132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCCC2=C(C=CC(=C2)Cl)C(=O)CCC1)[O-]

Isomeric SMILES

CC(=O)[N+]1(CCCC2=C(C=CC(=C2)Cl)C(=O)CCC1)[O-]

InChI

InChI=1S/C15H18ClNO3/c1-11(18)17(20)8-2-4-12-10-13(16)6-7-14(12)15(19)5-3-9-17/h6-7,10H,2-5,8-9H2,1H3