2-(3-chloranyl-2-methyl-phenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(3-chloranyl-2-methyl-phenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(3-chloro-2-methyl-phenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylene]isoquinoline-1,3-dione CAS Name: 2-(3-chloro-2-methylphenyl)-4-[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(3-chloro-2-methylphenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: 2-(3-chloro-2-methyl-phenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylene]isoquinoline-1,3-quinone Formula: C24H27ClN3O2+ MolecularWeight: 424.94308

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O2/c1-3-27-13-7-8-17(27)14-26-15-20-18-9-4-5-10-19(18)23(29)28(24(20)30)22-12-6-11-21(25)16(22)2/h4-6,9-12,15,17,26H,3,7-8,13-14H2,1-2H3/p+1/t17-/m0/s1