[(2R)-2-azanyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(2R)-2-azanyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-butyl-methyl-azanium Openeye Name: [(2R)-2-amino-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-butyl-methyl-ammonium CAS Name: [(2R)-2-amino-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-butyl-methylammonium IUPAC Name: [(2R)-2-amino-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-butyl-methylazanium Traditional Name: [(2R)-2-amino-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-butyl-methyl-ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC(C1=CC2=C(C=C1)OCCCO2)N

Isomeric SMILES

CCCC[NH+](C)C[C@@H](C1=CC2=C(C=C1)OCCCO2)N

InChI

InChI=1S/C16H26N2O2/c1-3-4-8-18(2)12-14(17)13-6-7-15-16(11-13)20-10-5-9-19-15/h6-7,11,14H,3-5,8-10,12,17H2,1-2H3/p+1/t14-/m0/s1