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

Systemtic Name: 2-(3-chlorophenyl)-4-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(3-chlorophenyl)-4-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(3-chlorophenyl)-4-[(1-propyl-4-piperidin-1-iumyl)iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-chlorophenyl)-4-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-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=C4)Cl

Isomeric SMILES

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

InChI

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