3-[2-(2-phenylethynyl)phenyl]propan-1-amine hydrate hydrochloride

Systemtic Name: 3-[2-(2-phenylethynyl)phenyl]propan-1-amine hydrate hydrochloride Openeye Name: 3-[2-(2-phenylethynyl)phenyl]propan-1-amine hydrate hydrochloride CAS Name: 3-[2-(2-phenylethynyl)phenyl]-1-propanamine hydrate hydrochloride IUPAC Name: 3-[2-(2-phenylethynyl)phenyl]propan-1-amine hydrate hydrochloride Traditional Name: 3-[2-(2-phenylethynyl)phenyl]propylamine hydrate hydrochloride Formula: C17H20ClNO MolecularWeight: 289.7998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2CCCN.O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2CCCN.O.Cl

InChI

InChI=1S/C17H17N.ClH.H2O/c18-14-6-11-16-9-4-5-10-17(16)13-12-15-7-2-1-3-8-15;;/h1-5,7-10H,6,11,14,18H2;1H;1H2