(2S)-2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-methylallyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-methylallyl)piperazin-1-ium-1-yl]acetate Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CC[NH+](CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC(=C)CN1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C25H28N4O3/c1-17(2)16-28-10-12-29(13-11-28)23(25(31)32)21-15-26-22-14-19(8-9-20(21)22)27-24(30)18-6-4-3-5-7-18/h3-9,14-15,23,26H,1,10-13,16H2,2H3,(H,27,30)(H,31,32)/t23-/m0/s1