N-[4-[2-oxidanyl-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]phenyl]ethanamide

Systemtic Name: N-[4-[2-oxidanyl-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]phenyl]ethanamide Openeye Name: N-[4-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]phenyl]acetamide CAS Name: N-[4-[2-hydroxy-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)propoxy]phenyl]acetamide IUPAC Name: N-[4-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]phenyl]acetamide Traditional Name: N-[4-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]phenyl]acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC(COC3=CC=C(C=C3)NC(=O)C)O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC(COC3=CC=C(C=C3)NC(=O)C)O)C

InChI

InChI=1S/C21H25N3O3/c1-14-9-20-21(10-15(14)2)24(13-23(20)4)11-18(26)12-27-19-7-5-17(6-8-19)22-16(3)25/h5-10,13,18,26H,11-12H2,1-4H3/p+1