2-(1H-indol-3-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1H-indol-3-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1H-indol-3-yl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1H-indol-3-yl)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1H-indol-3-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1H-indol-3-yl)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethanone Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O/c1-17-6-2-3-7-18(17)16-24-10-12-25(13-11-24)22(26)14-19-15-23-21-9-5-4-8-20(19)21/h2-9,15,23H,10-14,16H2,1H3/p+1