(4R)-2-(2-chlorophenyl)-4-(3-piperidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4R)-2-(2-chlorophenyl)-4-(3-piperidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4R)-2-(2-chlorophenyl)-4-(3-piperidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4R)-2-(2-chlorophenyl)-4-[3-(1-piperidin-1-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4R)-2-(2-chlorophenyl)-4-(3-piperidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4R)-2-(2-chlorophenyl)-4-(3-piperidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C24H27ClN3O2+ MolecularWeight: 424.94308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](CC1)CCCN=C[C@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H26ClN3O2/c25-21-11-4-5-12-22(21)28-23(29)19-10-3-2-9-18(19)20(24(28)30)17-26-13-8-16-27-14-6-1-7-15-27/h2-5,9-12,17,20H,1,6-8,13-16H2/p+1/t20-/m0/s1