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

Systemtic Name: 3-[[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]-1-(phenylmethyl)indole Openeye Name: 1-benzyl-3-[(6-benzyloxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]indole CAS Name: 3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-1-(phenylmethyl)indole IUPAC Name: 1-benzyl-3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl]indole Traditional Name: 3-[(6-benzoxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-1-benzyl-indole Formula: C32H33N3O3 MolecularWeight: 507.62272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)OC)[O-]

InChI

InChI=1S/C32H33N3O3/c1-23(2)18-30-31(38-22-25-14-8-5-9-15-25)33-28(32(37-3)35(30)36)19-26-21-34(20-24-12-6-4-7-13-24)29-17-11-10-16-27(26)29/h4-17,21,23H,18-20,22H2,1-3H3