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

Systemtic Name: 3-[3-methoxy-2-methyl-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-2H-pyrazin-4-ium-1-yl]-1-(phenylmethyl)indole Openeye Name: 1-benzyl-3-(6-benzyloxy-5-isobutyl-3-methoxy-2-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)indole CAS Name: 3-[3-methoxy-2-methyl-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2H-pyrazin-4-ium-1-yl]-1-(phenylmethyl)indole IUPAC Name: 1-benzyl-3-[3-methoxy-2-methyl-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2H-pyrazin-4-ium-1-yl]indole Traditional Name: 3-(6-benzoxy-5-isobutyl-3-methoxy-2-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)-1-benzyl-indole Formula: C32H35N3O3 MolecularWeight: 509.6386

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=[N+](C(=C(N1C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)OCC5=CC=CC=C5)CC(C)C)[O-])OC

Isomeric SMILES

CC1C(=[N+](C(=C(N1C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)OCC5=CC=CC=C5)CC(C)C)[O-])OC

InChI

InChI=1S/C32H35N3O3/c1-23(2)19-29-32(38-22-26-15-9-6-10-16-26)34(24(3)31(37-4)35(29)36)30-21-33(20-25-13-7-5-8-14-25)28-18-12-11-17-27(28)30/h5-18,21,23-24H,19-20,22H2,1-4H3