ethyl (E)-3-[3,6-di(butan-2-yl)-4-oxidanidyl-pyrazin-4-ium-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3,6-di(butan-2-yl)-4-oxidanidyl-pyrazin-4-ium-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(4-oxido-3,6-disec-butyl-pyrazin-4-ium-2-yl)prop-2-enoate CAS Name: (E)-3-[3,6-di(butan-2-yl)-4-oxido-2-pyrazin-4-iumyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3,6-di(butan-2-yl)-4-oxidopyrazin-4-ium-2-yl]prop-2-enoate Traditional Name: (E)-3-(4-oxido-3,6-disec-butyl-pyrazin-4-ium-2-yl)acrylic acid ethyl ester Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C[N+](=C(C(=N1)C=CC(=O)OCC)C(C)CC)[O-]

Isomeric SMILES

CCC(C)C1=C[N+](=C(C(=N1)/C=C/C(=O)OCC)C(C)CC)[O-]

InChI

InChI=1S/C17H26N2O3/c1-6-12(4)15-11-19(21)17(13(5)7-2)14(18-15)9-10-16(20)22-8-3/h9-13H,6-8H2,1-5H3/b10-9+