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

Systemtic Name: 2-chloranyl-3-[[6-chloranyl-5-(2-methylpropyl)-4-oxidanidyl-3-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]-1H-indole Openeye Name: 3-[(3-benzyloxy-6-chloro-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl)methyl]-2-chloro-1H-indole CAS Name: 2-chloro-3-[[6-chloro-5-(2-methylpropyl)-4-oxido-3-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-1H-indole IUPAC Name: 2-chloro-3-[[6-chloro-5-(2-methylpropyl)-4-oxido-3-phenylmethoxypyrazin-4-ium-2-yl]methyl]-1H-indole Traditional Name: 3-[(3-benzoxy-6-chloro-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl)methyl]-2-chloro-1H-indole Formula: C24H23Cl2N3O2 MolecularWeight: 456.36432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1Cl)CC2=C(NC3=CC=CC=C32)Cl)OCC4=CC=CC=C4)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1Cl)CC2=C(NC3=CC=CC=C32)Cl)OCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C24H23Cl2N3O2/c1-15(2)12-21-23(26)28-20(13-18-17-10-6-7-11-19(17)27-22(18)25)24(29(21)30)31-14-16-8-4-3-5-9-16/h3-11,15,27H,12-14H2,1-2H3