[(1S)-6-(propylcarbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynyl-azanium chloride

Systemtic Name: [(1S)-6-(propylcarbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynyl-azanium chloride Openeye Name: [(1S)-6-(propylcarbamoyloxy)indan-1-yl]-prop-2-ynyl-ammonium chloride CAS Name: [(1S)-6-[oxo(propylamino)methoxy]-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylammonium chloride IUPAC Name: [(1S)-6-(propylcarbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylazanium chloride Traditional Name: propargyl-[(1S)-6-(propylcarbamoyloxy)indan-1-yl]ammonium chloride Formula: C16H21ClN2O2 MolecularWeight: 308.80314

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OC1=CC2=C(CCC2[NH2+]CC#C)C=C1.[Cl-]

Isomeric SMILES

CCCNC(=O)OC1=CC2=C(CC[C@@H]2[NH2+]CC#C)C=C1.[Cl-]

InChI

InChI=1S/C16H20N2O2.ClH/c1-3-9-17-15-8-6-12-5-7-13(11-14(12)15)20-16(19)18-10-4-2;/h1,5,7,11,15,17H,4,6,8-10H2,2H3,(H,18,19);1H/t15-;/m0./s1