(4S)-2-(2,6-dimethylphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(2,6-dimethylphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2,6-dimethylphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2,6-dimethylphenyl)-4-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2,6-dimethylphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2,6-dimethylphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCC[NH+]4CCOCC4

InChI

InChI=1S/C25H29N3O3/c1-18-7-5-8-19(2)23(18)28-24(29)21-10-4-3-9-20(21)22(25(28)30)17-26-11-6-12-27-13-15-31-16-14-27/h3-5,7-10,17,22H,6,11-16H2,1-2H3/p+1/t22-/m1/s1