(4R)-2-(3,4-dimethylphenyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4R)-2-(3,4-dimethylphenyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4R)-2-(3,4-dimethylphenyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4R)-2-(3,4-dimethylphenyl)-4-[3-(1-pyrrolidin-1-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4R)-2-(3,4-dimethylphenyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4R)-2-(3,4-dimethylphenyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCC[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@H](C3=CC=CC=C3C2=O)C=NCCC[NH+]4CCCC4)C

InChI

InChI=1S/C25H29N3O2/c1-18-10-11-20(16-19(18)2)28-24(29)22-9-4-3-8-21(22)23(25(28)30)17-26-12-7-15-27-13-5-6-14-27/h3-4,8-11,16-17,23H,5-7,12-15H2,1-2H3/p+1/t23-/m0/s1