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

Systemtic Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(1-methyl-2-phenyl-3-indolyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-methyl-2-phenylindol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C26H28N4O+2 MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H26N4O/c1-28-22-12-6-5-11-21(22)25(26(28)20-9-3-2-4-10-20)23(31)19-29-15-17-30(18-16-29)24-13-7-8-14-27-24/h2-14H,15-19H2,1H3/p+2