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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-heptan-4-yl-azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(1-propylbutyl)ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-heptan-4-ylammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-heptan-4-ylazanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(1-propylbutyl)ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-3-7-13(8-4-2)17-11-14-12-18-15-9-5-6-10-16(15)19-14/h5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1-2H3/p+1/t14-/m0/s1