2-(3-ethanoylindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-ethanoylindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3-acetylindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(3-acetyl-1-indolyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-acetylindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(3-acetylindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H22N4O2/c1-16(26)18-14-25(19-7-3-2-6-17(18)19)15-21(27)24-12-10-23(11-13-24)20-8-4-5-9-22-20/h2-9,14H,10-13,15H2,1H3/p+1