4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C22H24N4O2/c1-2-25-13-7-8-16(25)14-23-15-19-17-9-3-4-10-18(17)21(27)26(22(19)28)20-11-5-6-12-24-20/h3-6,9-12,15-16,19H,2,7-8,13-14H2,1H3/p+1/t16-,19?/m1/s1