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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(1H-indol-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1H-indol-2-yl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O2/c1-16-6-5-7-17(2)22(16)25-21(28)15-26-10-12-27(13-11-26)23(29)20-14-18-8-3-4-9-19(18)24-20/h3-9,14,24H,10-13,15H2,1-2H3,(H,25,28)/p+1