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

Systemtic Name: 2-(4-ethoxyphenyl)-4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(4-ethoxyphenyl)-4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(4-ethoxyphenyl)-4-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(4-ethoxyphenyl)-4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-p-phenetyl-4H-isoquinoline-1,3-quinone Formula: C25H30N3O3+ MolecularWeight: 420.524

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=C(C=C4)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-3-27-15-7-8-19(27)16-26-17-23-21-9-5-6-10-22(21)24(29)28(25(23)30)18-11-13-20(14-12-18)31-4-2/h5-6,9-14,17,19,23H,3-4,7-8,15-16H2,1-2H3/p+1/t19-,23?/m1/s1