2-pyridin-2-yl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-pyridin-2-yl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(2-pyridyl)-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(2-pyridinyl)-4-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-pyridin-2-yl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(2-pyridyl)-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4)C

InChI

InChI=1S/C24H28N4O2/c1-23(2)13-16(14-24(3,4)27-23)26-15-19-17-9-5-6-10-18(17)21(29)28(22(19)30)20-11-7-8-12-25-20/h5-12,15-16,19,27H,13-14H2,1-4H3/p+1