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

Systemtic Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-phenyl-4H-isoquinoline-1,3-dione Openeye Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-phenyl-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyliminomethyl]-2-phenyl-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-phenyl-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-phenyl-4H-isoquinoline-1,3-quinone Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2/c1-2-25-14-8-11-18(25)15-24-16-21-19-12-6-7-13-20(19)22(27)26(23(21)28)17-9-4-3-5-10-17/h3-7,9-10,12-13,16,18,21H,2,8,11,14-15H2,1H3/p+1/t18-,21?/m1/s1