N'-(2-piperidin-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboximidamide hydrate hydrochloride

Systemtic Name: N'-(2-piperidin-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboximidamide hydrate hydrochloride Openeye Name: N'-[2-(1-piperidyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamidine hydrate hydrochloride CAS Name: N'-[2-(1-piperidinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboximidamide hydrate hydrochloride IUPAC Name: N'-(2-piperidin-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboximidamide hydrate hydrochloride Traditional Name: N'-(2-piperidinoethyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamidine hydrate hydrochloride Formula: C16H26ClN3O3 MolecularWeight: 343.84894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN=C(C2COC3=CC=CC=C3O2)N.O.Cl

Isomeric SMILES

C1CCN(CC1)CCN=C(C2COC3=CC=CC=C3O2)N.O.Cl

InChI

InChI=1S/C16H23N3O2.ClH.H2O/c17-16(18-8-11-19-9-4-1-5-10-19)15-12-20-13-6-2-3-7-14(13)21-15;;/h2-3,6-7,15H,1,4-5,8-12H2,(H2,17,18);1H;1H2