[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-pentan-3-yl-azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-pentan-3-yl-azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(1-ethylpropyl)ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-pentan-3-ylammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-pentan-3-ylazanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(1-ethylpropyl)ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC1COC2=CC=CC=C2O1

Isomeric SMILES

CCC(CC)[NH2+]C[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C14H21NO2/c1-3-11(4-2)15-9-12-10-16-13-7-5-6-8-14(13)17-12/h5-8,11-12,15H,3-4,9-10H2,1-2H3/p+1/t12-/m0/s1