(2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetate Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H21N5O3/c1-27-13-3-4-16-14(11-13)15(12-22-16)17(18(25)26)23-7-9-24(10-8-23)19-20-5-2-6-21-19/h2-6,11-12,17,22H,7-10H2,1H3,(H,25,26)/t17-/m0/s1