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

Systemtic Name: 2-methyl-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione hydrochloride Openeye Name: 2-methyl-2-[4-(1-piperidyl)but-2-ynyl]indane-1,3-dione hydrochloride CAS Name: 2-methyl-2-[4-(1-piperidinyl)but-2-ynyl]indene-1,3-dione hydrochloride IUPAC Name: 2-methyl-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione hydrochloride Traditional Name: 2-methyl-2-(4-piperidinobut-2-ynyl)indane-1,3-quinone hydrochloride Formula: C19H22ClNO2 MolecularWeight: 331.83648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=CC=CC=C2C1=O)CC#CCN3CCCCC3.Cl

Isomeric SMILES

CC1(C(=O)C2=CC=CC=C2C1=O)CC#CCN3CCCCC3.Cl

InChI

InChI=1S/C19H21NO2.ClH/c1-19(11-5-8-14-20-12-6-2-7-13-20)17(21)15-9-3-4-10-16(15)18(19)22;/h3-4,9-10H,2,6-7,11-14H2,1H3;1H