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

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-[4-(2-methylallyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-[4-(2-methylallyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)CC(=C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CC(=C)C

InChI

InChI=1S/C19H25N3O2/c1-13(2)12-21-8-10-22(11-9-21)18(19(23)24)17-14(3)20-16-7-5-4-6-15(16)17/h4-7,18,20H,1,8-12H2,2-3H3,(H,23,24)/t18-/m0/s1