1-(7-ethyl-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(7-ethyl-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(7-ethyl-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C21H26N4O+2 MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H24N4O/c1-2-16-6-5-7-17-18(14-23-21(16)17)19(26)15-24-10-12-25(13-11-24)20-8-3-4-9-22-20/h3-9,14,23H,2,10-13,15H2,1H3/p+2