(2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(5-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-(5-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-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-(5-methyl-1H-indol-3-yl)acetate Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)CC(=C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CC(=C)C

InChI

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