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

Systemtic Name: 3-[[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]-1-methyl-indole Openeye Name: 3-[(6-benzyloxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-1-methyl-indole CAS Name: 3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-1-methylindole IUPAC Name: 3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl]-1-methylindole Traditional Name: 3-[(6-benzoxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-1-methyl-indole Formula: C26H29N3O3 MolecularWeight: 431.52676

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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)C)OC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-18(2)14-24-25(32-17-19-10-6-5-7-11-19)27-22(26(31-4)29(24)30)15-20-16-28(3)23-13-9-8-12-21(20)23/h5-13,16,18H,14-15,17H2,1-4H3