(4R)-2-(2-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4R)-2-(2-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4R)-2-(2-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4R)-2-(2-methoxyphenyl)-4-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4R)-2-(2-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4R)-2-(2-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)[C@H](C3=CC=CC=C3C2=O)C=NCCC[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O4/c1-30-22-10-5-4-9-21(22)27-23(28)19-8-3-2-7-18(19)20(24(27)29)17-25-11-6-12-26-13-15-31-16-14-26/h2-5,7-10,17,20H,6,11-16H2,1H3/p+1/t20-/m0/s1