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

Systemtic Name: N-[3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]-4-oxidanyl-phenyl]-4-(4-phenylbutoxy)benzamide Openeye Name: N-[4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]-4-(4-phenylbutoxy)benzamide CAS Name: N-[4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]-1-imidazol-1-iumyl]phenyl]-4-(4-phenylbutoxy)benzamide IUPAC Name: N-[4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]-4-(4-phenylbutoxy)benzamide Traditional Name: N-[4-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=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O4/c1-2-8-28-30-18-19-32(28,35)26-21-24(14-17-27(26)33)31-29(34)23-12-15-25(16-13-23)36-20-7-6-11-22-9-4-3-5-10-22/h2-5,8-10,12-19,21,33H,6-7,11,20H2,1H3,(H,31,34)/b8-2+