3-[3-chloranyl-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]-1H-indole

Systemtic Name: 3-[3-chloranyl-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]-1H-indole Openeye Name: 3-(6-benzyloxy-3-chloro-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl)-1H-indole CAS Name: 3-[3-chloro-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]-1H-indole IUPAC Name: 3-[3-chloro-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]-1H-indole Traditional Name: 3-(6-benzoxy-3-chloro-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl)-1H-indole Formula: C23H22ClN3O2 MolecularWeight: 407.89268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)C3=CNC4=CC=CC=C43)Cl)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)C3=CNC4=CC=CC=C43)Cl)[O-]

InChI

InChI=1S/C23H22ClN3O2/c1-15(2)12-20-23(29-14-16-8-4-3-5-9-16)26-21(22(24)27(20)28)18-13-25-19-11-7-6-10-17(18)19/h3-11,13,15,25H,12,14H2,1-2H3