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

Systemtic Name: (4S)-2-(4-methylphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-(p-tolyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(4-methylphenyl)-4-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(4-methylphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-(p-tolyl)-4H-isoquinoline-1,3-quinone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-18-7-9-19(10-8-18)27-23(28)21-6-3-2-5-20(21)22(24(27)29)17-25-11-4-12-26-13-15-30-16-14-26/h2-3,5-10,17,22H,4,11-16H2,1H3/p+1/t22-/m1/s1