5,6-dimethoxy-2-[(1-phenethylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one chloride

Systemtic Name: 5,6-dimethoxy-2-[(1-phenethylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one chloride Openeye Name: 5,6-dimethoxy-2-[(1-phenethyl-4-piperidyl)methyl]indan-1-one chloride CAS Name: 5,6-dimethoxy-2-[(1-phenethyl-4-piperidinyl)methyl]-2,3-dihydroinden-1-one chloride IUPAC Name: 5,6-dimethoxy-2-[(1-phenethylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one chloride Traditional Name: 5,6-dimethoxy-2-[(1-phenethyl-4-piperidyl)methyl]indan-1-one chloride Formula: C25H31ClNO3- MolecularWeight: 428.97154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CCC4=CC=CC=C4)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CCC4=CC=CC=C4)OC.[Cl-]

InChI

InChI=1S/C25H31NO3.ClH/c1-28-23-16-20-15-21(25(27)22(20)17-24(23)29-2)14-19-9-12-26(13-10-19)11-8-18-6-4-3-5-7-18;/h3-7,16-17,19,21H,8-15H2,1-2H3;1H/p-1