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

Systemtic Name: methyl 3-[[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]indole-1-carboxylate Openeye Name: methyl 3-[(6-benzyloxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-1-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl]indole-1-carboxylate Traditional Name: 3-[(6-benzoxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]indole-1-carboxylic acid methyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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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(=O)OC)OC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5/c1-18(2)14-24-25(35-17-19-10-6-5-7-11-19)28-22(26(33-3)30(24)32)15-20-16-29(27(31)34-4)23-13-9-8-12-21(20)23/h5-13,16,18H,14-15,17H2,1-4H3