N-[3,4-bis(fluoranyl)phenyl]-N-[1-(2-ethyl-3-oxidanidyl-1-prop-1-en-2-yl-benzimidazol-3-ium-4-yl)piperidin-4-yl]propanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-N-[1-(2-ethyl-3-oxidanidyl-1-prop-1-en-2-yl-benzimidazol-3-ium-4-yl)piperidin-4-yl]propanamide Openeye Name: N-(3,4-difluorophenyl)-N-[1-(2-ethyl-1-isopropenyl-3-oxido-benzimidazol-3-ium-4-yl)-4-piperidyl]propanamide CAS Name: N-(3,4-difluorophenyl)-N-[1-[2-ethyl-1-(1-methylethenyl)-3-oxido-4-benzimidazol-3-iumyl]-4-piperidinyl]propanamide IUPAC Name: N-(3,4-difluorophenyl)-N-[1-(2-ethyl-3-oxido-1-prop-1-en-2-ylbenzimidazol-3-ium-4-yl)piperidin-4-yl]propanamide Traditional Name: N-(3,4-difluorophenyl)-N-[1-(2-ethyl-1-isopropenyl-3-oxido-benzimidazol-3-ium-4-yl)-4-piperidyl]propionamide Formula: C26H30F2N4O2 MolecularWeight: 468.538806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=C(N1C(=C)C)C=CC=C2N3CCC(CC3)N(C4=CC(=C(C=C4)F)F)C(=O)CC)[O-]

Isomeric SMILES

CCC1=[N+](C2=C(N1C(=C)C)C=CC=C2N3CCC(CC3)N(C4=CC(=C(C=C4)F)F)C(=O)CC)[O-]

InChI

InChI=1S/C26H30F2N4O2/c1-5-24-30(17(3)4)23-9-7-8-22(26(23)32(24)34)29-14-12-18(13-15-29)31(25(33)6-2)19-10-11-20(27)21(28)16-19/h7-11,16,18H,3,5-6,12-15H2,1-2,4H3