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

Systemtic Name: (2S)-2-[4-(2-methylprop-2-enyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(2-methylallyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(2-methylprop-2-enyl)-1-piperazin-1-iumyl]-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(2-methylprop-2-enyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(2-methylallyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CC[NH+](CC1)C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC(=C)CN1CC[NH+](CC1)[C@@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C24H27N3O2/c1-17(2)16-26-12-14-27(15-13-26)23(24(28)29)21-19-10-6-7-11-20(19)25-22(21)18-8-4-3-5-9-18/h3-11,23,25H,1,12-16H2,2H3,(H,28,29)/t23-/m0/s1