5-methoxy-2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-ylidene]-6-propan-2-yloxy-3H-inden-1-one hydrochloride

Systemtic Name: 5-methoxy-2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-ylidene]-6-propan-2-yloxy-3H-inden-1-one hydrochloride Openeye Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-ylidene)-6-isopropoxy-5-methoxy-indan-1-one hydrochloride CAS Name: 5-methoxy-2-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumylidene]-6-propan-2-yloxy-3H-inden-1-one hydrochloride IUPAC Name: 2-(1-benzyl-1-methylpiperidin-1-ium-4-ylidene)-5-methoxy-6-propan-2-yloxy-3H-inden-1-one hydrochloride Traditional Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-ylidene)-6-isopropoxy-5-methoxy-indan-1-one hydrochloride Formula: C26H33ClNO3+ MolecularWeight: 442.99812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2CC(=C3CC[N+](CC3)(C)CC4=CC=CC=C4)C(=O)C2=C1)OC.Cl

Isomeric SMILES

CC(C)OC1=C(C=C2CC(=C3CC[N+](CC3)(C)CC4=CC=CC=C4)C(=O)C2=C1)OC.Cl

InChI

InChI=1S/C26H32NO3.ClH/c1-18(2)30-25-16-23-21(15-24(25)29-4)14-22(26(23)28)20-10-12-27(3,13-11-20)17-19-8-6-5-7-9-19;/h5-9,15-16,18H,10-14,17H2,1-4H3;1H/q+1;