1-[2-[5-methoxy-2-methyl-1-oxidanyl-1-[(E)-3-phenylprop-2-enoyl]indol-1-ium-3-yl]ethyl]urea

Systemtic Name: 1-[2-[5-methoxy-2-methyl-1-oxidanyl-1-[(E)-3-phenylprop-2-enoyl]indol-1-ium-3-yl]ethyl]urea Openeye Name: 2-[1-hydroxy-5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-1-ium-3-yl]ethylurea CAS Name: 2-[1-hydroxy-5-methoxy-2-methyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-3-indol-1-iumyl]ethylurea IUPAC Name: 2-[1-hydroxy-5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-1-ium-3-yl]ethylurea Traditional Name: 2-[1-hydroxy-5-methoxy-2-methyl-1-[(E)-3-phenylacryloyl]indol-1-ium-3-yl]ethylurea Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([N+]1(C(=O)C=CC3=CC=CC=C3)O)C=CC(=C2)OC)CCNC(=O)N

Isomeric SMILES

CC1=C(C2=C([N+]1(C(=O)/C=C/C3=CC=CC=C3)O)C=CC(=C2)OC)CCNC(=O)N

InChI

InChI=1S/C22H23N3O4/c1-15-18(12-13-24-22(23)27)19-14-17(29-2)9-10-20(19)25(15,28)21(26)11-8-16-6-4-3-5-7-16/h3-11,14,28H,12-13H2,1-2H3,(H2-,23,24,27)/p+1/b11-8+