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

Systemtic Name: 2-(3,4-dimethylphenyl)-4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethylphenyl)-4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(3,4-dimethylphenyl)-4-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3,4-dimethylphenyl)-4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethylphenyl)-4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-quinone Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2/c1-4-27-13-7-8-20(27)15-26-16-23-21-9-5-6-10-22(21)24(29)28(25(23)30)19-12-11-17(2)18(3)14-19/h5-6,9-12,14,16,20,23H,4,7-8,13,15H2,1-3H3/p+1/t20-,23?/m1/s1