4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidin-1-ium

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidin-1-ium Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidin-1-ium CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidin-1-ium IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidin-1-ium Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidin-1-ium Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3CC[NH2+]CC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3CC[NH2+]CC3)OC1

InChI

InChI=1S/C14H19NO2/c1-8-16-13-3-2-12(10-14(13)17-9-1)11-4-6-15-7-5-11/h2-3,10-11,15H,1,4-9H2/p+1