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

Systemtic Name: N-(2-ethylphenyl)-2-[4-(1H-indol-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[1H-indol-2-yl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-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:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

InChI

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