2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H27NO2/c1-4-13(3)10-15(5-2)18-12-14-6-7-16-17(11-14)20-9-8-19-16/h6-7,11,13,15,18H,4-5,8-10,12H2,1-3H3/p+1/t13-,15-/m0/s1