(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H24ClN2O3+ MolecularWeight: 327.82636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+](C)CC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C)NC(=O)C[NH+](C)CC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C16H23ClN2O3/c1-11(2)18-15(20)10-19(3)9-12-7-13(17)16-14(8-12)21-5-4-6-22-16/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/p+1