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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O3/c1-3-5-18-15(20)11-19(2)10-12-8-13(17)16-14(9-12)21-6-4-7-22-16/h8-9H,3-7,10-11H2,1-2H3,(H,18,20)/p+1