2-(phenylmethyl)-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione hydrochloride

Systemtic Name: 2-(phenylmethyl)-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione hydrochloride Openeye Name: 2-benzyl-2-[4-(1-piperidyl)but-2-ynyl]indane-1,3-dione hydrochloride CAS Name: 2-(phenylmethyl)-2-[4-(1-piperidinyl)but-2-ynyl]indene-1,3-dione hydrochloride IUPAC Name: 2-benzyl-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione hydrochloride Traditional Name: 2-benzyl-2-(4-piperidinobut-2-ynyl)indane-1,3-quinone hydrochloride Formula: C25H26ClNO2 MolecularWeight: 407.93244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CCC2(C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(CC1)CC#CCC2(C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C25H25NO2.ClH/c27-23-21-13-5-6-14-22(21)24(28)25(23,19-20-11-3-1-4-12-20)15-7-10-18-26-16-8-2-9-17-26;/h1,3-6,11-14H,2,8-9,15-19H2;1H