sodium; 5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one; 2-propylpentanoate

Systemtic Name: sodium; 5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one; 2-propylpentanoate Openeye Name: sodium; 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-indan-1-one; 2-propylpentanoate CAS Name: sodium; 5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-2,3-dihydroinden-1-one; 2-propylpentanoate IUPAC Name: sodium; 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one; 2-propylpentanoate Traditional Name: sodium; 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-indan-1-one; 2-propylvalerate Formula: C32H44NNaO5 MolecularWeight: 545.68523

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)[O-].COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.[Na+]

Isomeric SMILES

CCCC(CCC)C(=O)[O-].COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.[Na+]

InChI

InChI=1S/C24H29NO3.C8H16O2.Na/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;1-3-5-7(6-4-2)8(9)10;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1