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

Systemtic Name: (4S)-2-(3,4-dimethylphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(3,4-dimethylphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(3,4-dimethylphenyl)-4-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(3,4-dimethylphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(3,4-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=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCC[NH+]4CCOCC4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-18-8-9-20(16-19(18)2)28-24(29)22-7-4-3-6-21(22)23(25(28)30)17-26-10-5-11-27-12-14-31-15-13-27/h3-4,6-9,16-17,23H,5,10-15H2,1-2H3/p+1/t23-/m1/s1