(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(3-oxidanylpropyl)azanium

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(3-oxidanylpropyl)azanium Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(3-hydroxypropyl)ammonium CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(3-hydroxypropyl)ammonium IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(3-hydroxypropyl)azanium Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(3-hydroxypropyl)ammonium Formula: C13H19ClNO3+ MolecularWeight: 272.74786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO3/c14-11-7-10(9-15-3-1-4-16)8-12-13(11)18-6-2-5-17-12/h7-8,15-16H,1-6,9H2/p+1