5-methoxy-2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-6-propoxy-2,3-dihydroinden-1-one

Systemtic Name: 5-methoxy-2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-6-propoxy-2,3-dihydroinden-1-one Openeye Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-5-methoxy-6-propoxy-indan-1-one CAS Name: 5-methoxy-2-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-6-propoxy-2,3-dihydroinden-1-one IUPAC Name: 2-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-5-methoxy-6-propoxy-2,3-dihydroinden-1-one Traditional Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-5-methoxy-6-propoxy-indan-1-one Formula: C26H34NO3+ MolecularWeight: 408.55306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2CC(C(=O)C2=C1)C3CC[N+](CC3)(C)CC4=CC=CC=C4)OC

Isomeric SMILES

CCCOC1=C(C=C2CC(C(=O)C2=C1)C3CC[N+](CC3)(C)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H34NO3/c1-4-14-30-25-17-23-21(16-24(25)29-3)15-22(26(23)28)20-10-12-27(2,13-11-20)18-19-8-6-5-7-9-19/h5-9,16-17,20,22H,4,10-15,18H2,1-3H3/q+1