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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]CCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)[NH2+]CCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H22N2O3/c19-16-13(3-1-2-7-18-16)17-8-6-12-4-5-14-15(11-12)21-10-9-20-14/h4-5,11,13,17H,1-3,6-10H2,(H,18,19)/p+1/t13-/m1/s1