N-tert-butyl-2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(E)-3-(4-fluorophenyl)acryloyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C20H29FN3O2+ MolecularWeight: 362.461563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C20H28FN3O2/c1-20(2,3)22-18(25)15-23-11-4-12-24(14-13-23)19(26)10-7-16-5-8-17(21)9-6-16/h5-10H,4,11-15H2,1-3H3,(H,22,25)/p+1/b10-7+