1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone

Systemtic Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone CAS Name: 1-[4-(1H-indol-3-ylmethyl)-1-piperazin-4-iumyl]-2-(4-methylphenoxy)ethanone IUPAC Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Traditional Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O2/c1-17-6-8-19(9-7-17)27-16-22(26)25-12-10-24(11-13-25)15-18-14-23-21-5-3-2-4-20(18)21/h2-9,14,23H,10-13,15-16H2,1H3/p+1