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

Systemtic Name: 1-[[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]indole-5-carbonitrile Openeye Name: 1-[(6-benzyloxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]indole-5-carbonitrile CAS Name: 1-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-5-indolecarbonitrile IUPAC Name: 1-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl]indole-5-carbonitrile Traditional Name: 1-[(6-benzoxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]indole-5-carbonitrile Formula: C26H26N4O3 MolecularWeight: 442.50964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CN3C=CC4=C3C=CC(=C4)C#N)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CN3C=CC4=C3C=CC(=C4)C#N)OC)[O-]

InChI

InChI=1S/C26H26N4O3/c1-18(2)13-24-25(33-17-19-7-5-4-6-8-19)28-22(26(32-3)30(24)31)16-29-12-11-21-14-20(15-27)9-10-23(21)29/h4-12,14,18H,13,16-17H2,1-3H3