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

Systemtic Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-pentan-3-yl-azanium Openeye Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(1-ethylpropyl)ammonium CAS Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-pentan-3-ylammonium IUPAC Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-pentan-3-ylazanium Traditional Name: [(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(1-ethylpropyl)ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]C(C)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCC(CC)[NH2+][C@H](C)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H25NO2/c1-4-14(5-2)17-12(3)13-7-8-15-16(11-13)19-10-6-9-18-15/h7-8,11-12,14,17H,4-6,9-10H2,1-3H3/p+1/t12-/m1/s1