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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine Traditional Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolin-1-ium-2-yl]amine Formula: C13H17N2O2+ MolecularWeight: 233.28628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[N+](C1)C2=CC3=C(C=C2)OCCCO3)N

Isomeric SMILES

C1CC(=[N+](C1)C2=CC3=C(C=C2)OCCCO3)N

InChI

InChI=1S/C13H16N2O2/c14-13-3-1-6-15(13)10-4-5-11-12(9-10)17-8-2-7-16-11/h4-5,9,14H,1-3,6-8H2/p+1