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

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: (2R)-1-(1H-indol-3-yl)-2-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C25H25N4O+ MolecularWeight: 397.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)[C@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H24N4O/c30-25(21-18-27-22-11-5-4-10-20(21)22)24(19-8-2-1-3-9-19)29-16-14-28(15-17-29)23-12-6-7-13-26-23/h1-13,18,24,27H,14-17H2/p+1/t24-/m1/s1