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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CCC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CCC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C18H29NO2/c1-4-14(3)12-16(5-2)19-9-8-15-6-7-17-18(13-15)21-11-10-20-17/h6-7,13-14,16,19H,4-5,8-12H2,1-3H3/p+1/t14-,16-/m0/s1