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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=CC(=C2)C)CC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C[C@@H]1C[NH+](CCN1C2=CC=CC(=C2)C)CC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O/c1-16-6-5-7-18(12-16)25-11-10-24(14-17(25)2)15-22(26)20-13-23-21-9-4-3-8-19(20)21/h3-9,12-13,17,23H,10-11,14-15H2,1-2H3/p+1/t17-/m1/s1