[3-azanyl-5-(3-pyridin-4-ylphenoxy)pentanoyl]-oxidanidyl-azanium hydrochloride

Systemtic Name: [3-azanyl-5-(3-pyridin-4-ylphenoxy)pentanoyl]-oxidanidyl-azanium hydrochloride Openeye Name: [3-amino-5-[3-(4-pyridyl)phenoxy]pentanoyl]-oxido-ammonium hydrochloride CAS Name: [3-amino-1-oxo-5-(3-pyridin-4-ylphenoxy)pentyl]-oxidoammonium hydrochloride IUPAC Name: [3-amino-5-(3-pyridin-4-ylphenoxy)pentanoyl]-oxidoazanium hydrochloride Traditional Name: [3-amino-5-[3-(4-pyridyl)phenoxy]pentanoyl]-oxido-ammonium hydrochloride Formula: C16H20ClN3O3 MolecularWeight: 337.8013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCC(CC(=O)[NH2+][O-])N)C2=CC=NC=C2.Cl

Isomeric SMILES

C1=CC(=CC(=C1)OCCC(CC(=O)[NH2+][O-])N)C2=CC=NC=C2.Cl

InChI

InChI=1S/C16H19N3O3.ClH/c17-14(11-16(20)19-21)6-9-22-15-3-1-2-13(10-15)12-4-7-18-8-5-12;/h1-5,7-8,10,14H,6,9,11,17,19H2;1H