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

Systemtic Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-(2-methoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-(2-methoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyliminomethyl]-2-(2-methoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-(2-methoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-(2-methoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4OC

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4OC

InChI

InChI=1S/C24H27N3O3/c1-3-26-14-8-9-17(26)15-25-16-20-18-10-4-5-11-19(18)23(28)27(24(20)29)21-12-6-7-13-22(21)30-2/h4-7,10-13,16-17,20H,3,8-9,14-15H2,1-2H3/p+1/t17-,20?/m1/s1