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

Systemtic Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)[NH2+]CCCN3C=CN=C3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCO2)[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C16H21N3O2/c1-13(18-5-2-7-19-8-6-17-12-19)14-3-4-15-16(11-14)21-10-9-20-15/h3-4,6,8,11-13,18H,2,5,7,9-10H2,1H3/p+1/t13-/m0/s1