3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-carbaldehyde

Systemtic Name: 3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-carbaldehyde Openeye Name: 6-benzyloxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-carbaldehyde CAS Name: 3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumcarboxaldehyde IUPAC Name: 3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-carbaldehyde Traditional Name: 6-benzoxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-carbaldehyde Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)C=O)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)C=O)OC)[O-]

InChI

InChI=1S/C17H20N2O4/c1-12(2)9-15-16(23-11-13-7-5-4-6-8-13)18-14(10-20)17(22-3)19(15)21/h4-8,10,12H,9,11H2,1-3H3