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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O2/c1-2-26-12-6-9-18(26)14-25-15-21-19-10-3-4-11-20(19)22(28)27(23(21)29)17-8-5-7-16(24)13-17/h3-5,7-8,10-11,13,15,18,21H,2,6,9,12,14H2,1H3/p+1/t18-,21?/m1/s1