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

Systemtic Name: 2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)indene-1,3-dione Openeye Name: 2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)indane-1,3-dione CAS Name: 2-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]indene-1,3-dione IUPAC Name: 2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)indene-1,3-dione Traditional Name: 2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)indane-1,3-quinone Formula: C24H23N3O2+2 MolecularWeight: 385.45832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1C2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=[NH+]5

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+2