(4S)-2-(5-chloranyl-2-methyl-phenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(5-chloranyl-2-methyl-phenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(5-chloro-2-methyl-phenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(5-chloro-2-methylphenyl)-4-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(5-chloro-2-methylphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(5-chloro-2-methyl-phenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C24H27ClN3O3+ MolecularWeight: 440.94248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O3/c1-17-7-8-18(25)15-22(17)28-23(29)20-6-3-2-5-19(20)21(24(28)30)16-26-9-4-10-27-11-13-31-14-12-27/h2-3,5-8,15-16,21H,4,9-14H2,1H3/p+1/t21-/m1/s1