2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)indene-1,3-dione

Systemtic Name: 2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)indene-1,3-dione Openeye Name: 2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)indane-1,3-dione CAS Name: 2-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]indene-1,3-dione IUPAC Name: 2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)indene-1,3-dione Traditional Name: 2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazino)indane-1,3-quinone Formula: C24H22N3O2+ MolecularWeight: 384.45038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O2/c28-22-19-10-4-5-11-20(19)23(29)24(22,18-8-2-1-3-9-18)27-16-14-26(15-17-27)21-12-6-7-13-25-21/h1-13H,14-17H2/p+1