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

Systemtic Name: 3-[[5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]methyl]-5-phenylmethoxy-1H-indole Openeye Name: 5-benzyloxy-3-[(3-isobutyl-5-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole CAS Name: 3-[[5-methoxy-3-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumyl]methyl]-5-phenylmethoxy-1H-indole IUPAC Name: 3-[[5-methoxy-3-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-yl]methyl]-5-phenylmethoxy-1H-indole Traditional Name: 5-benzoxy-3-[(3-isobutyl-5-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=CN=C1CC2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=CN=C1CC2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)OC)[O-]

InChI

InChI=1S/C25H27N3O3/c1-17(2)11-24-23(27-15-25(30-3)28(24)29)12-19-14-26-22-10-9-20(13-21(19)22)31-16-18-7-5-4-6-8-18/h4-10,13-15,17,26H,11-12,16H2,1-3H3