(4S)-2-(4-ethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(4-ethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(4-ethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(4-ethoxyphenyl)-4-[2-(4-morpholin-4-iumyl)ethyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(4-ethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-p-phenetyl-4H-isoquinoline-1,3-quinone Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCC[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O4/c1-2-31-19-9-7-18(8-10-19)27-23(28)21-6-4-3-5-20(21)22(24(27)29)17-25-11-12-26-13-15-30-16-14-26/h3-10,17,22H,2,11-16H2,1H3/p+1/t22-/m1/s1