2-[(2S)-4-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[(2S)-4-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[(1S)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)butyl]isoindolin-1-one CAS Name: 2-[(2S)-4-methyl-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[(2S)-4-methyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[(1S)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)butyl]isoindolin-1-one Formula: C23H29N4O2+ MolecularWeight: 393.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H28N4O2/c1-17(2)15-20(27-16-18-7-3-4-8-19(18)22(27)28)23(29)26-13-11-25(12-14-26)21-9-5-6-10-24-21/h3-10,17,20H,11-16H2,1-2H3/p+1/t20-/m0/s1