3-(8-chloranyl-2,3-dihydro-1-benzoxepin-5-yl)propyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-(8-chloranyl-2,3-dihydro-1-benzoxepin-5-yl)propyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-(8-chloro-2,3-dihydro-1-benzoxepin-5-yl)propyl-dimethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-(8-chloro-2,3-dihydro-1-benzoxepin-5-yl)propyl-dimethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-(8-chloro-2,3-dihydro-1-benzoxepin-5-yl)propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-(8-chloro-2,3-dihydro-1-benzoxepin-5-yl)propyl-dimethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C19H24ClNO5 MolecularWeight: 381.85056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1=CCCOC2=C1C=CC(=C2)Cl.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CCCC1=CCCOC2=C1C=CC(=C2)Cl.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C15H20ClNO.C4H4O4/c1-17(2)9-3-5-12-6-4-10-18-15-11-13(16)7-8-14(12)15;5-3(6)1-2-4(7)8/h6-8,11H,3-5,9-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-