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

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methylpentoxy)ethyl]azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-isohexyloxy-ethyl]ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methylpentoxy)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methylpentoxy)ethyl]azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-isohexyloxy-ethyl]ammonium Formula: C17H28NO3+ MolecularWeight: 294.40912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOCC(C1=CC2=C(C=C1)OCCCO2)[NH3+]

Isomeric SMILES

CC(C)CCCOC[C@H](C1=CC2=C(C=C1)OCCCO2)[NH3+]

InChI

InChI=1S/C17H27NO3/c1-13(2)5-3-8-19-12-15(18)14-6-7-16-17(11-14)21-10-4-9-20-16/h6-7,11,13,15H,3-5,8-10,12,18H2,1-2H3/p+1/t15-/m1/s1