[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxidanylidene-butyl]azanium Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxo-butyl]ammonium CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutyl]ammonium IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutyl]azanium Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-keto-butyl]ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCC[NH3+])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCC[NH3+])OC1

InChI

InChI=1S/C13H18N2O3/c14-6-1-3-13(16)15-10-4-5-11-12(9-10)18-8-2-7-17-11/h4-5,9H,1-3,6-8,14H2,(H,15,16)/p+1