1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(2-phenyl-1H-indol-3-yl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C25H26N4O+2 MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H24N4O/c30-22(18-28-14-16-29(17-15-28)23-12-6-7-13-26-23)24-20-10-4-5-11-21(20)27-25(24)19-8-2-1-3-9-19/h1-13,27H,14-18H2/p+2