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

Systemtic Name: 5,6-dimethoxy-2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-2,3-dihydroinden-1-one hydrochloride Openeye Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-5,6-dimethoxy-indan-1-one hydrochloride CAS Name: 5,6-dimethoxy-2-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-2,3-dihydroinden-1-one hydrochloride IUPAC Name: 2-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-5,6-dimethoxy-2,3-dihydroinden-1-one hydrochloride Traditional Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-5,6-dimethoxy-indan-1-one hydrochloride Formula: C24H31ClNO3+ MolecularWeight: 416.96084

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C2CC3=CC(=C(C=C3C2=O)OC)OC)CC4=CC=CC=C4.Cl

Isomeric SMILES

C[N+]1(CCC(CC1)C2CC3=CC(=C(C=C3C2=O)OC)OC)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C24H30NO3.ClH/c1-25(16-17-7-5-4-6-8-17)11-9-18(10-12-25)20-13-19-14-22(27-2)23(28-3)15-21(19)24(20)26;/h4-8,14-15,18,20H,9-13,16H2,1-3H3;1H/q+1;