[3-cyclohexyloxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methanol

Systemtic Name: [3-cyclohexyloxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methanol Openeye Name: [6-benzyloxy-3-(cyclohexoxy)-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl]methanol CAS Name: [3-cyclohexyloxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methanol IUPAC Name: [3-cyclohexyloxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methanol Traditional Name: [6-benzoxy-3-(cyclohexoxy)-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl]methanol Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CO)OC3CCCCC3)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CO)OC3CCCCC3)[O-]

InChI

InChI=1S/C22H30N2O4/c1-16(2)13-20-21(27-15-17-9-5-3-6-10-17)23-19(14-25)22(24(20)26)28-18-11-7-4-8-12-18/h3,5-6,9-10,16,18,25H,4,7-8,11-15H2,1-2H3