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

Systemtic Name: (2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-(5-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H21N3O4/c1-13-4-5-16-14(11-13)15(12-21-16)18(20(25)26)22-6-8-23(9-7-22)19(24)17-3-2-10-27-17/h2-5,10-12,18,21H,6-9H2,1H3,(H,25,26)/t18-/m0/s1