N-(2,6-dimethylphenyl)-2-[4-(3-indol-1-ylpropanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(3-indol-1-ylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(3-indol-1-ylpropanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[3-(1-indolyl)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3-indol-1-ylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(3-indol-1-ylpropanoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCN3C=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N4O2/c1-19-6-5-7-20(2)25(19)26-23(30)18-27-14-16-29(17-15-27)24(31)11-13-28-12-10-21-8-3-4-9-22(21)28/h3-10,12H,11,13-18H2,1-2H3,(H,26,30)/p+1