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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-[2-(isopropylamino)-2-oxo-ethyl]ammonium CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C17H26ClN2O3+ MolecularWeight: 341.85294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O3/c1-4-20(11-16(21)19-12(2)3)10-13-8-14(18)17-15(9-13)22-6-5-7-23-17/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,21)/p+1