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

Systemtic Name: 2-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]isoindolin-1-one CAS Name: 2-[(2S)-3-methyl-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[(2S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]isoindolin-1-one Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-16(2)20(26-15-17-7-3-4-8-18(17)21(26)27)22(28)25-13-11-24(12-14-25)19-9-5-6-10-23-19/h3-10,16,20H,11-15H2,1-2H3/p+1/t20-/m0/s1