3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one

Systemtic Name: 3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one Openeye Name: 3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one CAS Name: 3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-1H-pyridin-2-one IUPAC Name: 3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one Traditional Name: 3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]-2-pyridone Formula: C20H26N3O2+ MolecularWeight: 340.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CNC3=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CNC3=O

InChI

InChI=1S/C20H25N3O2/c1-15(2)17-7-5-16(6-8-17)14-22-10-12-23(13-11-22)20(25)18-4-3-9-21-19(18)24/h3-9,15H,10-14H2,1-2H3,(H,21,24)/p+1