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

Systemtic Name: [(2R)-2-azanyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-butyl-ethyl-azanium Openeye Name: [(2R)-2-amino-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-butyl-ethyl-ammonium CAS Name: [(2R)-2-amino-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-butyl-ethylammonium IUPAC Name: [(2R)-2-amino-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-butyl-ethylazanium Traditional Name: [(2R)-2-amino-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-butyl-ethyl-ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-3-5-9-19(4-2)13-15(18)14-7-8-16-17(12-14)21-11-6-10-20-16/h7-8,12,15H,3-6,9-11,13,18H2,1-2H3/p+1/t15-/m0/s1