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

Systemtic Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxoazepan-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-1-azepanyl)ethyl]ammonium IUPAC Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxoazepan-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ketoazepan-1-yl)ethyl]ammonium Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(C2=CC3=C(C=C2)OCCO3)[NH3+]

Isomeric SMILES

C1CCC(=O)N(CC1)C[C@H](C2=CC3=C(C=C2)OCCO3)[NH3+]

InChI

InChI=1S/C16H22N2O3/c17-13(11-18-7-3-1-2-4-16(18)19)12-5-6-14-15(10-12)21-9-8-20-14/h5-6,10,13H,1-4,7-9,11,17H2/p+1/t13-/m1/s1