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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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