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

Systemtic Name: 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]-1H-indole CAS Name: 3-[[6-chloro-5-(2-methylpropyl)-4-oxido-3-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-1H-indole IUPAC Name: 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]-1H-indole Formula: C24H24ClN3O2 MolecularWeight: 421.91926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1Cl)CC2=CNC3=CC=CC=C32)OCC4=CC=CC=C4)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1Cl)CC2=CNC3=CC=CC=C32)OCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C24H24ClN3O2/c1-16(2)12-22-23(25)27-21(13-18-14-26-20-11-7-6-10-19(18)20)24(28(22)29)30-15-17-8-4-3-5-9-17/h3-11,14,16,26H,12-13,15H2,1-2H3