2-(2,5-dimethoxyphenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(2,5-dimethoxyphenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2,5-dimethoxyphenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylene]isoquinoline-1,3-dione CAS Name: 2-(2,5-dimethoxyphenyl)-4-[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2,5-dimethoxyphenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2,5-dimethoxyphenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylene]isoquinoline-1,3-quinone Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C25H29N3O4/c1-4-27-13-7-8-17(27)15-26-16-21-19-9-5-6-10-20(19)24(29)28(25(21)30)22-14-18(31-2)11-12-23(22)32-3/h5-6,9-12,14,16-17,26H,4,7-8,13,15H2,1-3H3/p+1/t17-/m0/s1