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

Systemtic Name: (2S)-2-(1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(1H-indol-3-yl)-2-[4-(2-methylallyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(1H-indol-3-yl)-2-[4-(2-methylallyl)piperazin-1-ium-1-yl]acetate Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CC[NH+](CC1)C(C2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CC(=C)CN1CC[NH+](CC1)[C@@H](C2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C18H23N3O2/c1-13(2)12-20-7-9-21(10-8-20)17(18(22)23)15-11-19-16-6-4-3-5-14(15)16/h3-6,11,17,19H,1,7-10,12H2,2H3,(H,22,23)/t17-/m0/s1