[6-(1H-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl] ethanoate

Systemtic Name: [6-(1H-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl] ethanoate Openeye Name: [6-(1H-indol-3-ylmethyl)-3-isobutyl-5-methoxy-4-oxido-pyrazin-4-ium-2-yl] acetate CAS Name: acetic acid [6-(1H-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumyl] ester IUPAC Name: [6-(1H-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-yl] acetate Traditional Name: acetic acid [6-(1H-indol-3-ylmethyl)-3-isobutyl-5-methoxy-4-oxido-pyrazin-4-ium-2-yl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OC(=O)C)CC2=CNC3=CC=CC=C32)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OC(=O)C)CC2=CNC3=CC=CC=C32)OC)[O-]

InChI

InChI=1S/C20H23N3O4/c1-12(2)9-18-19(27-13(3)24)22-17(20(26-4)23(18)25)10-14-11-21-16-8-6-5-7-15(14)16/h5-8,11-12,21H,9-10H2,1-4H3