(4S)-2-(3-chlorophenyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(3-chlorophenyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(3-chlorophenyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(3-chlorophenyl)-4-[3-(1-pyrrolidin-1-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(3-chlorophenyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(3-chlorophenyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C23H25ClN3O2+ MolecularWeight: 410.9165

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CCCN=C[C@@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H24ClN3O2/c24-17-7-5-8-18(15-17)27-22(28)20-10-2-1-9-19(20)21(23(27)29)16-25-11-6-14-26-12-3-4-13-26/h1-2,5,7-10,15-16,21H,3-4,6,11-14H2/p+1/t21-/m1/s1