3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azetidin-1-ium

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azetidin-1-ium Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azetidin-1-ium CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azetidin-1-ium IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azetidin-1-ium Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azetidin-1-ium Formula: C13H17ClNO2+ MolecularWeight: 254.73258

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC3C[NH2+]C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC3C[NH2+]C3)Cl)OC1

InChI

InChI=1S/C13H16ClNO2/c14-11-5-9(4-10-7-15-8-10)6-12-13(11)17-3-1-2-16-12/h5-6,10,15H,1-4,7-8H2/p+1