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

Systemtic Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyliminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyliminomethyl]-2-(3-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=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-3-26-13-7-9-18(26)15-25-16-22-20-11-4-5-12-21(20)23(28)27(24(22)29)17-8-6-10-19(14-17)30-2/h4-6,8,10-12,14,16,18,22H,3,7,9,13,15H2,1-2H3/p+1/t18-,22?/m1/s1