2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]-N-ethyl-ethanamide

Systemtic Name: 2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: 2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]-1,4-diazepan-1-ium-1-yl]-N-ethylacetamide IUPAC Name: 2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]-N-ethylacetamide Traditional Name: 2-[4-[(E)-3-(4-bromophenyl)acryloyl]-1,4-diazepan-1-ium-1-yl]-N-ethyl-acetamide Formula: C18H25BrN3O2+ MolecularWeight: 395.314

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C[NH+]1CCCN(CC1)C(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

CCNC(=O)C[NH+]1CCCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H24BrN3O2/c1-2-20-17(23)14-21-10-3-11-22(13-12-21)18(24)9-6-15-4-7-16(19)8-5-15/h4-9H,2-3,10-14H2,1H3,(H,20,23)/p+1/b9-6+