[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-oxidanylidene-(4-phenylbutyl)phosphanium

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-oxidanylidene-(4-phenylbutyl)phosphanium Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(hydroxymethyl)-2-oxo-ethyl]-oxo-(4-phenylbutyl)phosphonium CAS Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]-oxo-(4-phenylbutyl)phosphonium IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]-oxo-(4-phenylbutyl)phosphanium Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methylol-ethyl]-keto-(4-phenylbutyl)phosphonium Formula: C22H27NO3P+ MolecularWeight: 384.428441

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(CO)[P+](=O)CCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C(CO)[P+](=O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3P/c24-17-21(27(26)15-7-6-10-18-8-2-1-3-9-18)22(25)23-14-13-19-11-4-5-12-20(19)16-23/h1-5,8-9,11-12,21,24H,6-7,10,13-17H2/q+1