2-[[1,1-bis(phenylmethyl)piperidin-1-ium-4-yl]-oxidanyl-methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one

Systemtic Name: 2-[[1,1-bis(phenylmethyl)piperidin-1-ium-4-yl]-oxidanyl-methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Openeye Name: 2-[(1,1-dibenzylpiperidin-1-ium-4-yl)-hydroxy-methyl]-5,6-dimethoxy-indan-1-one CAS Name: 2-[[1,1-bis(phenylmethyl)-4-piperidin-1-iumyl]-hydroxymethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one IUPAC Name: 2-[(1,1-dibenzylpiperidin-1-ium-4-yl)-hydroxymethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[(1,1-dibenzylpiperidin-1-ium-4-yl)-hydroxy-methyl]-5,6-dimethoxy-indan-1-one Formula: C31H36NO4+ MolecularWeight: 486.62184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)C(C3CC[N+](CC3)(CC4=CC=CC=C4)CC5=CC=CC=C5)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)C(C3CC[N+](CC3)(CC4=CC=CC=C4)CC5=CC=CC=C5)O)OC

InChI

InChI=1S/C31H36NO4/c1-35-28-18-25-17-27(31(34)26(25)19-29(28)36-2)30(33)24-13-15-32(16-14-24,20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23/h3-12,18-19,24,27,30,33H,13-17,20-21H2,1-2H3/q+1