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

Systemtic Name: 1-ethyl-3-[[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]indole Openeye Name: 3-[(6-benzyloxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-1-ethyl-indole CAS Name: 1-ethyl-3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]indole IUPAC Name: 1-ethyl-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-ethyl-indole Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)CC3=C([N+](=C(C(=N3)OCC4=CC=CC=C4)CC(C)C)[O-])OC

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)CC3=C([N+](=C(C(=N3)OCC4=CC=CC=C4)CC(C)C)[O-])OC

InChI

InChI=1S/C27H31N3O3/c1-5-29-17-21(22-13-9-10-14-24(22)29)16-23-27(32-4)30(31)25(15-19(2)3)26(28-23)33-18-20-11-7-6-8-12-20/h6-14,17,19H,5,15-16,18H2,1-4H3