2-(2-chlorophenyl)-4-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]-4H-isoquinoline-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4Cl

Isomeric SMILES

CCC[NH+]1CCC(CC1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H26ClN3O2/c1-2-13-27-14-11-17(12-15-27)26-16-20-18-7-3-4-8-19(18)23(29)28(24(20)30)22-10-6-5-9-21(22)25/h3-10,16-17,20H,2,11-15H2,1H3/p+1