5-chloranyl-6-(1H-indol-3-yl)-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one

Systemtic Name: 5-chloranyl-6-(1H-indol-3-yl)-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 5-chloro-6-(1H-indol-3-yl)-3-isobutyl-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 5-chloro-6-(1H-indol-3-yl)-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 5-chloro-6-(1H-indol-3-yl)-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 5-chloro-6-(1H-indol-3-yl)-3-isobutyl-4-oxido-1H-pyrazin-4-ium-2-one Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(NC1=O)C2=CNC3=CC=CC=C32)Cl)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(NC1=O)C2=CNC3=CC=CC=C32)Cl)[O-]

InChI

InChI=1S/C16H16ClN3O2/c1-9(2)7-13-16(21)19-14(15(17)20(13)22)11-8-18-12-6-4-3-5-10(11)12/h3-6,8-9,18H,7H2,1-2H3,(H,19,21)