(E)-3-(5-bromanylthiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanylthiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-thienyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-thiophenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromothiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-thienyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C17H19BrN3OS+ MolecularWeight: 393.32126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C=CC3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)/C=C/C3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrN3OS/c18-16-3-1-15(23-16)2-4-17(22)21-11-9-20(10-12-21)13-14-5-7-19-8-6-14/h1-8H,9-13H2/p+1/b4-2+