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

Systemtic Name: [3-chloranyl-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methanol Openeye Name: (6-benzyloxy-3-chloro-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl)methanol CAS Name: [3-chloro-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methanol IUPAC Name: [3-chloro-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methanol Traditional Name: (6-benzoxy-3-chloro-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl)methanol Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O3/c1-11(2)8-14-16(18-13(9-20)15(17)19(14)21)22-10-12-6-4-3-5-7-12/h3-7,11,20H,8-10H2,1-2H3