3-butan-2-yl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxidanidyl-1H-pyrazin-4-ium-2-one

Systemtic Name: 3-butan-2-yl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-3-sec-butyl-1H-pyrazin-4-ium-2-one CAS Name: 3-butan-2-yl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 3-butan-2-yl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-3-sec-butyl-1H-pyrazin-4-ium-2-one Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=[N+](C(=C(NC1=O)CC2=CNC3=CC=CC=C32)OC)[O-]

Isomeric SMILES

CCC(C)C1=[N+](C(=C(NC1=O)CC2=CNC3=CC=CC=C32)OC)[O-]

InChI

InChI=1S/C18H21N3O3/c1-4-11(2)16-17(22)20-15(18(24-3)21(16)23)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,4,9H2,1-3H3,(H,20,22)