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

Systemtic Name: 2-(4-chlorophenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(4-chlorophenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylene]isoquinoline-1,3-dione CAS Name: 2-(4-chlorophenyl)-4-[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(4-chlorophenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: 2-(4-chlorophenyl)-4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methylene]isoquinoline-1,3-quinone Formula: C23H25ClN3O2+ MolecularWeight: 410.9165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O2/c1-2-26-13-5-6-18(26)14-25-15-21-19-7-3-4-8-20(19)22(28)27(23(21)29)17-11-9-16(24)10-12-17/h3-4,7-12,15,18,25H,2,5-6,13-14H2,1H3/p+1/t18-/m0/s1