N-[3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]-2-oxidanyl-phenyl]-4-(4-phenylbutoxy)benzamide

Systemtic Name: N-[3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]-2-oxidanyl-phenyl]-4-(4-phenylbutoxy)benzamide Openeye Name: N-[2-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]-4-(4-phenylbutoxy)benzamide CAS Name: N-[2-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]-1-imidazol-1-iumyl]phenyl]-4-(4-phenylbutoxy)benzamide IUPAC Name: N-[2-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]-4-(4-phenylbutoxy)benzamide Traditional Name: N-[2-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]-4-(4-phenylbutoxy)benzamide Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=NC=C[N+]1(C2=CC=CC(=C2O)NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)[O-]

Isomeric SMILES

C/C=C/C1=NC=C[N+]1(C2=CC=CC(=C2O)NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C29H29N3O4/c1-2-9-27-30-19-20-32(27,35)26-14-8-13-25(28(26)33)31-29(34)23-15-17-24(18-16-23)36-21-7-6-12-22-10-4-3-5-11-22/h2-5,8-11,13-20,33H,6-7,12,21H2,1H3,(H,31,34)/b9-2+